
 CHEMBL169026

 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.8786    0.0568   -2.5961 C   0  0  0  0  0
   -1.8700   -0.2450   -3.9597 C   0  0  0  0  0
   -2.8819   -1.0359   -4.4978 C   0  0  0  0  0
   -3.9015   -1.5272   -3.6857 C   0  0  0  0  0
   -3.9082   -1.2291   -2.3210 C   0  0  0  0  0
   -2.8951   -0.4349   -1.7605 C   0  0  0  0  0
   -2.8970   -0.1025   -0.2870 C   0  0  0  0  0
   -3.6632    1.1728   -0.1519 C   0  0  0  0  0
   -5.0118    1.2982    0.1295 C   0  0  0  0  0
   -5.4533    2.9505    0.2013 S   0  0  0  0  0
   -3.8253    3.3872   -0.1344 C   0  0  0  0  0
   -2.9897    2.3817   -0.2805 N   0  0  0  0  0
   -3.4331    4.8271   -0.2496 C   0  0  0  0  0
   -3.5221    5.3047   -1.7003 C   0  0  0  0  0
   -3.1335    6.7360   -1.8322 C   0  0  0  0  0
   -1.9173    7.3410   -2.0674 C   0  0  0  0  0
   -2.0480    8.7045   -2.1007 N   0  0  0  0  0
   -3.3239    8.9370   -1.8995 C   0  0  0  0  0
   -4.0244    7.7765   -1.7344 N   0  0  0  0  0
   -2.8746   -1.4068   -6.1785 Cl  0  0  0  0  0
   -1.0926    0.6884   -2.1847 H   0  0  0  0  0
   -1.0763    0.1428   -4.5917 H   0  0  0  0  0
   -4.6931   -2.1404   -4.1082 H   0  0  0  0  0
   -4.7113   -1.6179   -1.6986 H   0  0  0  0  0
   -1.8732    0.0156    0.0858 H   0  0  0  0  0
   -3.3595   -0.9099    0.2923 H   0  0  0  0  0
   -5.7405    0.5159    0.2864 H   0  0  0  0  0
   -2.4063    4.9433    0.1204 H   0  0  0  0  0
   -4.0632    5.4499    0.3982 H   0  0  0  0  0
   -4.5408    5.1657   -2.0853 H   0  0  0  0  0
   -2.8689    4.6934   -2.3366 H   0  0  0  0  0
   -0.9547    6.8666   -2.2123 H   0  0  0  0  0
   -3.7930    9.9111   -1.8645 H   0  0  0  0  0
   -5.0197    7.7074   -1.5721 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL169026

>  <PubChem CID>
44380850

>  <Formula>
C15H14ClN3S

>  <Molecular Weight>
303.808000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC=C1CC2=CSC(=N2)CCC3=CN=CN3)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1CC2=CSC(=N2)CCC3=CN=CN3)Cl

>  <InChI Std. ID>
InChI=1S/C15H14ClN3S/c16-12-3-1-11(2-4-12)7-14-9-20-15(19-14)6-5-13-8-17-10-18-13/h1-4,8-10H,5-7H2,(H,17,18)

>  <InChI Key>
BYPPCUMAIXZHRL-UHFFFAOYSA-N

