
 CHEMBL3742147

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0035    0.9626   -1.6424 C   0  0  0  0  0
    0.5962   -0.2641   -1.3445 C   0  0  0  0  0
    0.3398   -0.8635   -0.1121 C   0  0  0  0  0
   -0.4616   -0.2971    0.8026 N   0  0  0  0  0
   -1.0224    0.8872    0.4910 C   0  0  0  0  0
   -0.8281    1.5559   -0.7031 C   0  0  0  0  0
   -2.0349    1.5451    1.7088 Cl  0  0  0  0  0
    0.9503   -2.0945    0.1392 N   0  0  0  0  0
    0.8275   -2.8451    1.2968 C   0  0  0  0  0
    0.1764   -2.5350    2.2884 O   0  0  0  0  0
    1.5896   -4.0948    1.2023 C   0  0  0  0  0
    2.2856   -4.4312    0.1266 N   0  0  0  0  0
    2.8828   -5.6648    0.3442 C   0  0  0  0  0
    2.6395   -6.2426    1.5719 C   0  0  0  0  0
    1.6246   -5.2173    2.4995 S   0  0  0  0  0
    3.6914   -6.2543   -0.6820 C   0  0  0  0  0
    4.3492   -6.7481   -1.5021 N   0  0  0  0  0
    0.1892    1.4473   -2.5969 H   0  0  0  0  0
    1.2470   -0.7332   -2.0755 H   0  0  0  0  0
   -1.3080    2.5078   -0.8979 H   0  0  0  0  0
    1.5373   -2.4965   -0.5823 H   0  0  0  0  0
    2.9933   -7.1873    1.9622 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 14 22  1  0  0  0
 16 17  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL3742147

>  <PubChem CID>
127040462

>  <Formula>
C10H5ClN4OS

>  <Molecular Weight>
264.687000

>  <IUPAC Name>
N-(6-chloropyridin-2-yl)-4-cyano-1,3-thiazole-2-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=NC(=C1)Cl)NC(=O)C2=NC(=CS2)C#N

>  <Isomeric SMILES>
C1=CC(=NC(=C1)Cl)NC(=O)C2=NC(=CS2)C#N

>  <InChI Std. ID>
InChI=1S/C10H5ClN4OS/c11-7-2-1-3-8(14-7)15-9(16)10-13-6(4-12)5-17-10/h1-3,5H,(H,14,15,16)

>  <InChI Key>
ABRRFTCRHVPJBC-UHFFFAOYSA-N

