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4-(1-naphthyl)thiazol-2-amine
4-(1-naphthyl)thiazol-2-amine ID: AN-40165
CAS:56503-96-9
Supplier:AN PharmaTech Co Ltd

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SMILES:s1cc(nc1N)c1c2c(ccc1)cccc2	151342
FORMULA: C13H10N2S
MASS: 226.2969
EXACT MASS: 226.0564693
INTERATOMIC DISTANCES

              S   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    1.6180     0.0000 
   N   3    1.7821     1.7820     0.0000 
   C   4    3.3317     2.0886     3.8543     0.0000 
   C   5    2.5876     1.7820     3.5202     1.0000     0.0000 
   C   6    4.2636     3.0883     4.8530     1.0000     1.7320     0.0000 
   C   7    1.6180     1.0000     2.5877     1.7320     1.0000     2.6457 
   C   8    3.0608     2.6767     4.3155     1.7320     1.0000     2.0000 
   C   9    3.3731     1.8211     3.3807     1.0417     1.7603     1.7761 
   C  10    4.5663     3.6779     5.4574     1.7320     2.0000     1.0000 
   C  11    5.1014     3.7453     5.4244     1.7761     2.6903     1.0417 
   C  12    4.0553     3.5129     5.2268     2.0000     1.7320     1.7320 
   C  13    4.3741     2.7787     4.1398     1.8002     2.7088     2.0694 
   C  14    5.1483     3.6211     5.1181     2.0694     3.0694     1.8002 
   C  15    0.9999     1.6180     2.5876     2.6767     1.7820     3.5129 
   C  16    1.0000     0.9999     1.0001     3.0608     2.5876     4.0553 
   H  17    2.8743     2.8378     4.3267     2.2900     1.4157     2.6199 
   H  18    2.9369     1.3273     2.7742     1.4559     1.8710     2.3300 
   H  19    5.1830     4.2849     6.0662     2.2901     2.6200     1.4158 
   H  20    5.6610     4.3461     6.0392     2.3300     3.1811     1.4559 
   H  21    4.4415     4.0543     5.7278     2.6199     2.2900     2.2900 
   H  22    4.5853     2.9673     4.1017     2.3594     3.2062     2.6893 
   H  23    5.7284     4.1745     5.5955     2.6893     3.6893     2.3594 
   H  24    1.4536     2.2159     3.1609     2.9536     1.9762     3.6765 
   H  25    1.9172     2.3267     0.6200     4.4144     4.0025     5.4144 
   H  26    2.3266     1.9171     0.6200     3.8748     3.6991     4.8559 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    2.0073     2.6799     0.0000 
   C  10    3.0000     1.7320     2.6903     0.0000 
   C  11    3.5081     3.0416     2.0694     1.7603     0.0000 
   C  12    2.6457     1.0000     3.0416     1.0000     2.6799     0.0000 
   C  13    3.0490     3.5322     1.0417     3.0694     1.8002     3.6767 
   C  14    3.6691     3.6767     1.8002     2.7088     1.0417     3.5322 
   C  15    1.0000     2.0886     3.0020     3.6779     4.4410     3.0883 
   C  16    1.6180     3.3317     2.8032     4.5663     4.7439     4.2636 
   H  17    1.8396     0.6200     3.1709     2.2900     3.6615     1.4158 
   H  18    1.7865     2.8620     0.6199     3.1811     2.6893     3.3912 
   H  19    3.6200     2.2901     3.1851     0.6200     1.8548     1.4158 
   H  20    4.0532     3.3912     2.6893     1.8710     0.6199     2.8620 
   H  21    3.1407     1.4158     3.6615     1.4157     3.1709     0.6200 
   H  22    3.4079     4.0814     1.4559     3.6893     2.3594     4.2806 
   H  23    4.2751     4.2806     2.3594     3.2062     1.4559     4.0814 
   H  24    1.4536     1.9696     3.4395     3.6729     4.6635     2.9448 
   H  25    3.0317     4.7309     3.9882     5.9730     6.0204     5.6754 
   H  26    2.8490     4.5736     3.2488     5.5511     5.3180     5.4299 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0416     0.0000 
   C  15    4.0434     4.6626     0.0000 
   C  16    3.7149     4.6013     1.6180     0.0000 
   H  17    4.0793     4.2811     1.8744     3.3268     0.0000 
   H  18    1.4559     2.3593     2.7265     2.2627     3.2668     0.0000 
   H  19    3.4192     2.8838     4.2849     5.1830     2.8059     3.7142 
   H  20    2.3593     1.4559     4.9559     5.3424     4.0041     3.3092 
   H  21    4.2811     4.0793     3.4493     4.7469     1.6200     4.0041 
   H  22    0.6200     1.4558     4.3779     3.8238     4.6048     1.6658 
   H  23    1.4558     0.6200     5.2714     5.1392     4.8890     2.8788 
   H  24    4.4765     5.0031     0.6200     2.2159     1.5862     3.2375 
   H  25    4.7596     5.7351     2.8491     1.4158     4.6751     3.3863 
   H  26    3.8832     4.8991     3.0316     1.4158     4.6602     2.6288 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    1.7531     0.0000 
   H  21    1.6199     3.2668     0.0000 
   H  22    4.0334     2.8788     4.8890     0.0000 
   H  23    3.2971     1.6658     4.6048     1.6658     0.0000 
   H  24    4.2528     5.1323     3.2062     4.8588     5.6206     0.0000 
   H  25    6.5875     6.6326     6.1464     4.7177     6.2152     3.3664 
   H  26    6.1441     5.9378     5.9661     3.7610     5.3305     3.6316 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    1.0739     0.0000 



ATOMIC CHARGES
   S   1   -0.0604627874
   N   2   -0.2251363726
   N   3   -0.3375066743
   C   4   -0.0086962628
   C   5    0.0086329448
   C   6   -0.0172549644
   C   7    0.0807833148
   C   8   -0.0519477201
   C   9   -0.0534011263
   C  10   -0.0539926923
   C  11   -0.0540110600
   C  12   -0.0605452011
   C  13   -0.0611478929
   C  14   -0.0611660992
   C  15    0.0048967427
   C  16    0.1560997235
   H  17    0.0624275569
   H  18    0.0623805049
   H  19    0.0623621495
   H  20    0.0623619299
   H  21    0.0617948058
   H  22    0.0617765171
   H  23    0.0617762962
   H  24    0.0715807951
   H  25    0.1441977860
   H  26    0.1441977860


BOND ANGLES
  15    1   16  Car   S2  Car    108.000
   7    2   16  Car  Nar  Car    108.001
  16    3   25  Car  Npl   HC    120.000
  16    3   26  Car  Npl   HC    119.989
  25    3   26   HC  Npl   HC    120.010
   5    4    6  Car  Car  Car    120.001
   5    4    9  Car  Car  Car    119.116
   6    4    9  Car  Car  Car    120.884
   4    5    7  Car  Car  Car    120.001
   4    5    8  Car  Car  Car    119.999
   7    5    8  Car  Car  Car    120.001
   4    6   10  Car  Car  Car    120.001
   4    6   11  Car  Car  Car    120.884
  10    6   11  Car  Car  Car    119.116
   2    7    5  Nar  Car  Car    126.001
   2    7   15  Nar  Car  Car    107.997
   5    7   15  Car  Car  Car    126.001
   5    8   12  Car  Car  Car    120.001
   5    8   17  Car  Car   HC    119.998
  12    8   17  Car  Car   HC    120.002
   4    9   13  Car  Car  Car    119.556
   4    9   18  Car  Car   HC    120.218
  13    9   18  Car  Car   HC    120.225
   6   10   12  Car  Car  Car    119.999
   6   10   19  Car  Car   HC    120.001
  12   10   19  Car  Car   HC    120.001
   6   11   14  Car  Car  Car    119.556
   6   11   20  Car  Car   HC    120.218
  14   11   20  Car  Car   HC    120.225
   8   12   10  Car  Car  Car    120.001
   8   12   21  Car  Car   HC    120.002
  10   12   21  Car  Car   HC    119.998
   9   13   14  Car  Car  Car    119.560
   9   13   22  Car  Car   HC    120.215
  14   13   22  Car  Car   HC    120.225
  11   14   13  Car  Car  Car    119.560
  11   14   23  Car  Car   HC    120.215
  13   14   23  Car  Car   HC    120.225
   1   15    7   S2  Car  Car    108.001
   1   15   24   S2  Car   HC    126.002
   7   15   24  Car  Car   HC    125.996
   1   16    2   S2  Car  Nar    108.000
   1   16    3   S2  Car  Npl    125.998
   2   16    3  Nar  Car  Npl    126.002


TORSION ANGLES
  16    1   15    7      0.026
  16    1   15   24    179.974
  15    1   16    2      0.026
  15    1   16    3    179.974
  16    2    7    5    179.974
  16    2    7   15      0.026
   7    2   16    1      0.026
   7    2   16    3    179.974
  25    3   16    1      0.026
  25    3   16    2    179.974
  26    3   16    1    179.974
  26    3   16    2      0.026
   6    4    5    7    179.974
   6    4    5    8      0.026
   9    4    5    7      0.026
   9    4    5    8    179.974
   5    4    6   10      0.026
   5    4    6   11    179.974
   9    4    6   10    179.974
   9    4    6   11      0.026
   5    4    9   13    179.974
   5    4    9   18      0.026
   6    4    9   13      0.026
   6    4    9   18    179.974
   4    5    7    2      0.026
   4    5    7   15    179.974
   8    5    7    2    179.974
   8    5    7   15      0.026
   4    5    8   12      0.026
   4    5    8   17    179.974
   7    5    8   12    179.974
   7    5    8   17      0.026
   4    6   10   12      0.026
   4    6   10   19    179.974
  11    6   10   12    179.974
  11    6   10   19      0.026
   4    6   11   14      0.026
   4    6   11   20    179.974
  10    6   11   14    179.974
  10    6   11   20      0.026
   2    7   15    1      0.026
   2    7   15   24    179.974
   5    7   15    1    179.974
   5    7   15   24      0.026
   5    8   12   10      0.026
   5    8   12   21    179.974
  17    8   12   10    179.974
  17    8   12   21      0.026
   4    9   13   14      0.026
   4    9   13   22    179.974
  18    9   13   14    179.974
  18    9   13   22      0.026
   6   10   12    8      0.026
   6   10   12   21    179.974
  19   10   12    8    179.974
  19   10   12   21      0.026
   6   11   14   13      0.026
   6   11   14   23    179.974
  20   11   14   13    179.974
  20   11   14   23      0.026
   9   13   14   11      0.026
   9   13   14   23    179.974
  22   13   14   11    179.974
  22   13   14   23      0.026