
 CHEMBL3739885

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.1449    0.5342    0.8840 C   0  0  0  0  0
   -0.3880   -0.6220    1.0737 C   0  0  0  0  0
    0.5164   -1.0078    0.0908 C   0  0  0  0  0
    0.6900   -0.3035   -1.0460 N   0  0  0  0  0
   -0.0595    0.8076   -1.2004 C   0  0  0  0  0
   -0.9801    1.2704   -0.2801 C   0  0  0  0  0
    0.2112    1.6507   -2.6694 Cl  0  0  0  0  0
    1.3365   -2.1294    0.1792 N   0  0  0  0  0
    1.4216   -3.0672    1.1875 C   0  0  0  0  0
    0.7133   -3.0721    2.1909 O   0  0  0  0  0
    2.4636   -4.0616    0.9296 C   0  0  0  0  0
    3.2107   -4.0515   -0.1603 N   0  0  0  0  0
    4.1102   -5.0950   -0.0972 C   0  0  0  0  0
    4.0425   -5.8853    1.0285 C   0  0  0  0  0
    2.7971   -5.3111    2.0573 S   0  0  0  0  0
    5.3544   -5.3877   -1.4945 Br  0  0  0  0  0
   -1.8535    0.8529    1.6441 H   0  0  0  0  0
   -0.5247   -1.1848    1.9896 H   0  0  0  0  0
   -1.5517    2.1738   -0.4581 H   0  0  0  0  0
    1.9616   -2.2495   -0.6122 H   0  0  0  0  0
    4.6422   -6.7447    1.2922 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  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 19  1  0  0  0
  8  9  1  0  0  0
  8 20  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 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3739885

>  <PubChem CID>
127041687

>  <Formula>
C9H5BrClN3OS

>  <Molecular Weight>
318.573000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=NC(=C1)Cl)NC(=O)C2=NC(=CS2)Br

>  <Isomeric SMILES>
C1=CC(=NC(=C1)Cl)NC(=O)C2=NC(=CS2)Br

>  <InChI Std. ID>
InChI=1S/C9H5BrClN3OS/c10-5-4-16-9(12-5)8(15)14-7-3-1-2-6(11)13-7/h1-4H,(H,13,14,15)

>  <InChI Key>
AAJHPZFEVFHABO-UHFFFAOYSA-N

