
 CHEMBL38465

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.1423    2.8749   -3.3226 C   0  0  0  0  0
    3.2200    1.6526   -2.4909 C   0  0  0  0  0
    3.2126    1.4465   -1.1210 C   0  0  0  0  0
    3.3035    0.0969   -0.8455 N   0  0  0  0  0
    3.3795   -0.5003   -2.0103 C   0  0  0  0  0
    3.3351    0.3981   -3.0362 N   0  0  0  0  0
    3.1056    2.4329   -0.0018 C   0  0  0  0  0
    4.2548    3.3976    0.0637 C   0  0  0  0  0
    4.1330    4.7041   -0.0757 N   0  0  0  0  0
    5.3704    5.3205    0.0450 C   0  0  0  0  0
    6.4198    4.4589    0.2969 C   0  0  0  0  0
    5.8534    2.8443    0.3860 S   0  0  0  0  0
    5.5023    6.7708   -0.0519 C   0  0  0  0  0
    4.4099    7.5845    0.2835 C   0  0  0  0  0
    4.5080    8.9766    0.2162 C   0  0  0  0  0
    5.6979    9.5715   -0.1964 C   0  0  0  0  0
    6.7875    8.7762   -0.5450 C   0  0  0  0  0
    6.6912    7.3831   -0.4746 C   0  0  0  0  0
    3.0468    3.7746   -2.7086 H   0  0  0  0  0
    2.2751    2.8297   -3.9886 H   0  0  0  0  0
    4.0432    2.9778   -3.9360 H   0  0  0  0  0
    3.4663   -1.5659   -2.1730 H   0  0  0  0  0
    3.3787    0.1735   -4.0203 H   0  0  0  0  0
    3.0253    1.9029    0.9553 H   0  0  0  0  0
    2.1715    2.9959   -0.1212 H   0  0  0  0  0
    7.4645    4.6821    0.4537 H   0  0  0  0  0
    3.4739    7.1326    0.6077 H   0  0  0  0  0
    3.6540    9.5924    0.4863 H   0  0  0  0  0
    5.7740   10.6543   -0.2497 H   0  0  0  0  0
    7.7133    9.2398   -0.8755 H   0  0  0  0  0
    7.5526    6.7891   -0.7677 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL38465

>  <PubChem CID>
14742527

>  <Formula>
C14H13N3S

>  <Molecular Weight>
255.339000

>  <IUPAC Name>
2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=CN1)CC2=NC(=CS2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC1=C(N=CN1)CC2=NC(=CS2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)

>  <InChI Key>
SDWUPSHVUBKGKN-UHFFFAOYSA-N

