
 CHEMBL578580

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.1121   -1.5908    1.8154 C   0  0  0  0  0
    3.5961   -0.9184    0.6096 N   0  0  0  0  0
    4.1343   -1.6249   -0.4716 C   0  0  0  0  0
    4.7833   -1.1498   -1.5091 N   0  0  0  0  0
    5.2261   -2.1719   -2.3359 C   0  0  0  0  0
    4.8498   -3.4385   -1.9379 C   0  0  0  0  0
    3.9716   -3.3439   -0.4756 S   0  0  0  0  0
    6.0790   -1.9090   -3.4872 C   0  0  0  0  0
    6.0117   -2.6829   -4.6478 C   0  0  0  0  0
    6.8868   -2.3968   -5.6835 C   0  0  0  0  0
    7.8070   -1.4115   -5.6393 N   0  0  0  0  0
    7.8471   -0.6686   -4.5137 C   0  0  0  0  0
    7.0145   -0.8741   -3.4270 C   0  0  0  0  0
    3.3835    0.4719    0.5727 C   0  0  0  0  0
    2.8101    1.0733    1.4885 O   0  0  0  0  0
    3.7567    1.3332   -0.5691 C   0  0  0  0  0
    5.0950    1.5659   -0.9055 C   0  0  0  0  0
    5.4041    2.4544   -1.9379 C   0  0  0  0  0
    4.3812    3.1414   -2.5858 C   0  0  0  0  0
    3.0516    2.9634   -2.2190 C   0  0  0  0  0
    2.7368    2.0597   -1.2037 C   0  0  0  0  0
    4.6841    4.0020   -3.5662 F   0  0  0  0  0
    2.9546   -0.8936    2.6435 H   0  0  0  0  0
    3.8498   -2.3235    2.1585 H   0  0  0  0  0
    2.1582   -2.0798    1.5944 H   0  0  0  0  0
    5.0724   -4.3914   -2.3918 H   0  0  0  0  0
    5.2949   -3.4880   -4.7629 H   0  0  0  0  0
    6.8712   -2.9720   -6.6051 H   0  0  0  0  0
    8.5952    0.1190   -4.5045 H   0  0  0  0  0
    7.1075   -0.2496   -2.5457 H   0  0  0  0  0
    5.8906    1.0432   -0.3822 H   0  0  0  0  0
    6.4334    2.6218   -2.2370 H   0  0  0  0  0
    2.2740    3.5360   -2.7145 H   0  0  0  0  0
    1.7024    1.9380   -0.8888 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 14  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 30  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 33  1  0  0  0
 21 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL578580

>  <PubChem CID>
16661726

>  <Formula>
C16H12FN3OS

>  <Molecular Weight>
313.350000

>  <IUPAC Name>
4-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C1=NC(=CS1)C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CN(C1=NC(=CS1)C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C16H12FN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3

>  <InChI Key>
AFGGLHHFLRPCNP-UHFFFAOYSA-N

