
 CHEMBL1909433

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.2861    0.0966   -6.7289 C   0  0  0  0  0
    1.3765    0.9305   -6.0878 C   0  0  0  0  0
    1.6557    1.3441   -4.7910 C   0  0  0  0  0
    2.7628    0.9851   -4.1011 N   0  0  0  0  0
    3.6323    0.1639   -4.7560 C   0  0  0  0  0
    3.4366   -0.2956   -6.0546 C   0  0  0  0  0
    4.8646   -0.2550   -4.0099 C   0  0  0  0  0
    5.6771   -0.9895   -4.5636 O   0  0  0  0  0
    4.9558    0.2631   -2.7298 N   0  0  0  0  0
    5.9952    0.0546   -1.7989 C   0  0  0  0  0
    7.0763   -0.7968   -2.0277 C   0  0  0  0  0
    8.0870   -0.9351   -1.0706 C   0  0  0  0  0
    8.0432   -0.2307    0.1442 C   0  0  0  0  0
    6.9508    0.6068    0.3770 C   0  0  0  0  0
    5.9366    0.7460   -0.5848 C   0  0  0  0  0
    9.1141   -0.3992    1.0546 N   0  0  0  0  0
    9.2538    0.1159    2.3297 C   0  0  0  0  0
    8.4026    0.7952    2.8958 O   0  0  0  0  0
   10.4963   -0.2357    2.9969 C   0  0  0  0  0
   10.7770   -0.1182    4.3453 C   0  0  0  0  0
   12.0470   -0.4978    4.7368 N   0  0  0  0  0
   12.7241   -0.8852    3.6795 C   0  0  0  0  0
   11.8813   -0.8438    2.1855 S   0  0  0  0  0
    9.4015   -2.0106   -1.4241 Cl  0  0  0  0  0
    2.1031   -0.2476   -7.7434 H   0  0  0  0  0
    0.4691    1.2505   -6.5898 H   0  0  0  0  0
    0.9653    1.9972   -4.2620 H   0  0  0  0  0
    4.1642   -0.9463   -6.5297 H   0  0  0  0  0
    4.1898    0.8811   -2.4680 H   0  0  0  0  0
    7.1584   -1.3715   -2.9442 H   0  0  0  0  0
    6.8564    1.1827    1.2926 H   0  0  0  0  0
    5.1080    1.4163   -0.3672 H   0  0  0  0  0
    9.8606   -1.0064    0.7290 H   0  0  0  0  0
   10.0760    0.2395    5.0917 H   0  0  0  0  0
   13.7539   -1.2134    3.7441 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 28  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 34  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1909433

>  <PubChem CID>
51003372

>  <Formula>
C16H11ClN4O2S

>  <Molecular Weight>
358.800000

>  <IUPAC Name>
N-[2-chloro-4-(pyridine-2-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CN=CS3)Cl

>  <Isomeric SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CN=CS3)Cl

>  <InChI Std. ID>
InChI=1S/C16H11ClN4O2S/c17-11-7-10(20-15(22)13-3-1-2-6-19-13)4-5-12(11)21-16(23)14-8-18-9-24-14/h1-9H,(H,20,22)(H,21,23)

>  <InChI Key>
ANIACALCXMZPED-UHFFFAOYSA-N

