
 CHEMBL576121

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.1527   -0.8919    0.4373 C   0  0  0  0  0
    2.5741   -0.5582    0.5077 N   0  0  0  0  0
    3.5794   -1.5323    0.4684 C   0  0  0  0  0
    4.8791   -1.3571    0.4030 N   0  0  0  0  0
    5.5453   -2.5738    0.3630 C   0  0  0  0  0
    4.7258   -3.6819    0.4008 C   0  0  0  0  0
    3.0944   -3.1900    0.4829 S   0  0  0  0  0
    6.9983   -2.6519    0.3288 C   0  0  0  0  0
    7.6612   -3.6577   -0.3783 C   0  0  0  0  0
    9.0457   -3.6853   -0.3457 C   0  0  0  0  0
    9.7978   -2.7960    0.3345 N   0  0  0  0  0
    9.1370   -1.8252    0.9994 C   0  0  0  0  0
    7.7579   -1.7103    1.0234 C   0  0  0  0  0
    2.8701    0.8111    0.3684 C   0  0  0  0  0
    1.9984    1.6343    0.0629 O   0  0  0  0  0
    4.2095    1.3950    0.6120 C   0  0  0  0  0
    4.6922    2.3359   -0.3089 C   0  0  0  0  0
    5.8917    3.0058   -0.0701 C   0  0  0  0  0
    6.6084    2.7485    1.0970 C   0  0  0  0  0
    6.1181    1.8356    2.0331 C   0  0  0  0  0
    4.9113    1.1697    1.8016 C   0  0  0  0  0
    0.5170   -0.0264    0.6490 H   0  0  0  0  0
    0.8999   -1.6528    1.1806 H   0  0  0  0  0
    0.9211   -1.2481   -0.5727 H   0  0  0  0  0
    4.9926   -4.7292    0.4028 H   0  0  0  0  0
    7.1263   -4.4022   -0.9577 H   0  0  0  0  0
    9.6034   -4.4465   -0.8845 H   0  0  0  0  0
    9.7664   -1.1190    1.5347 H   0  0  0  0  0
    7.2874   -0.9079    1.5808 H   0  0  0  0  0
    4.1162    2.5629   -1.2054 H   0  0  0  0  0
    6.2558    3.7368   -0.7861 H   0  0  0  0  0
    7.5417    3.2711    1.2843 H   0  0  0  0  0
    6.6722    1.6501    2.9487 H   0  0  0  0  0
    4.5258    0.4784    2.5475 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  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 25  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 29  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 30  1  0  0  0
 18 19  2  0  0  0
 18 31  1  0  0  0
 19 20  1  0  0  0
 19 32  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>
CHEMBL576121

>  <PubChem CID>
16661406

>  <Formula>
C16H13N3OS

>  <Molecular Weight>
295.360000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C16H13N3OS/c1-19(15(20)13-5-3-2-4-6-13)16-18-14(11-21-16)12-7-9-17-10-8-12/h2-11H,1H3

>  <InChI Key>
AHHXPJLZHPSYLT-UHFFFAOYSA-N

