Sign In Join Free

Products Information

1-(2-Amino-1,3-thiazol-4-yl)ethanone
1-(2-Amino-1,3-thiazol-4-yl)ethanone ID: API-29041
CAS:101258-16-6
Supplier:APIchem

Get a quote


SMILES:s1cc(nc1N)C(=O)C	ChemMol.com
FORMULA: C5H6N2OS
MASS: 142.1789
EXACT MASS: 142.0200838
INTERATOMIC DISTANCES

              S   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2    3.3318     0.0000 
   N   3    1.6180     2.0886     0.0000 
   N   4    1.7820     3.8542     1.7819     0.0000 
   C   5    1.6180     1.7321     1.0000     2.5875     0.0000 
   C   6    2.5876     1.0000     1.7820     3.5201     1.0001     0.0000 
   C   7    1.0000     2.6767     1.6180     2.5876     0.9999     1.7821 
   C   8    0.9999     3.0608     1.0000     1.0000     1.6180     2.5876 
   C   9    3.0608     1.7321     2.6767     4.3154     1.7320     1.0000 
   H  10    1.4537     2.9537     2.2159     3.1609     1.4537     1.9763 
   H  11    3.5762     1.5200     2.9585     4.6827     2.1115     1.1766 
   H  12    3.4685     2.2900     3.2622     4.8468     2.2901     1.6200 
   H  13    2.5917     2.1114     2.5190     4.0108     1.5201     1.1766 
   H  14    1.9172     4.4144     2.3266     0.6201     3.0316     4.0025 
   H  15    2.3266     3.8749     1.9172     0.6200     2.8491     3.6991 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6180     0.0000 
   C   9    2.0885     3.3317     0.0000 
   H  10    0.6200     2.2159     1.9696     0.0000 
   H  11    2.6369     3.7285     0.6201     2.5750     0.0000 
   H  12    2.4703     3.8518     0.6200     2.2063     0.8768     0.0000 
   H  13    1.5937     3.0114     0.6199     1.3774     1.2400     0.8768 
   H  14    2.8491     1.4158     4.7308     3.3664     5.1430     5.2278 
   H  15    3.0317     1.4158     4.5737     3.6317     4.8757     5.1390 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    4.3681     0.0000 
   H  15    4.3399     1.0738     0.0000 



ATOMIC CHARGES
   S   1   -0.0603690113
   O   2   -0.2907203735
   N   3   -0.2222621984
   N   4   -0.3375055571
   C   5    0.1150383063
   C   6    0.1787382206
   C   7    0.0077096478
   C   8    0.1562070263
   C   9    0.0001481330
   H  10    0.0716727867
   H  11    0.0309824793
   H  12    0.0309824793
   H  13    0.0309824793
   H  14    0.1441977909
   H  15    0.1441977909


BOND ANGLES
   7    1    8  Car   S2  Car    108.000
   5    3    8  Car  Nar  Car    107.997
   8    4   14  Car  Npl   HC    119.995
   8    4   15  Car  Npl   HC    120.015
  14    4   15   HC  Npl   HC    119.990
   3    5    6  Nar  Car   C2    125.995
   3    5    7  Nar  Car  Car    108.001
   6    5    7   C2  Car  Car    126.004
   2    6    5   O2   C2  Car    120.004
   2    6    9   O2   C2   C3    120.005
   5    6    9  Car   C2   C3    119.992
   1    7    5   S2  Car  Car    108.000
   1    7   10   S2  Car   HC    125.997
   5    7   10  Car  Car   HC    126.002
   1    8    3   S2  Car  Nar    108.001
   1    8    4   S2  Car  Npl    126.006
   3    8    4  Nar  Car  Npl    125.993
   6    9   11   C2   C3   HC     89.995
   6    9   12   C2   C3   HC    179.974
   6    9   13   C2   C3   HC     90.006
  11    9   12   HC   C3   HC     89.993
  11    9   13   HC   C3   HC    179.974
  12    9   13   HC   C3   HC     90.006


TORSION ANGLES
   8    1    7    5      0.026
   8    1    7   10    179.974
   7    1    8    3      0.026
   7    1    8    4    179.974
   8    3    5    6    179.974
   8    3    5    7      0.026
   5    3    8    1      0.026
   5    3    8    4    179.974
  14    4    8    1      0.026
  14    4    8    3    179.974
  15    4    8    1    179.974
  15    4    8    3      0.026
   3    5    6    2      0.026
   3    5    6    9    179.974
   7    5    6    2    179.974
   7    5    6    9      0.026
   3    5    7    1      0.026
   3    5    7   10    179.974
   6    5    7    1    179.974
   6    5    7   10      0.026
   2    6    9   11      0.026
   2    6    9   12      0.026
   2    6    9   13    179.974
   5    6    9   11    179.974
   5    6    9   12    179.974
   5    6    9   13      0.026