
 GSK2210875

 35 37  0  0  0  0  0  0  0  0999 V2000
    4.7501   -0.3532   -1.7024 C   0  0  0  0  0
    4.2890   -0.1179   -0.3058 C   0  0  0  0  0
    3.6503   -0.9663    0.5369 C   0  0  0  0  0
    3.2612   -0.1929    2.1113 S   0  0  0  0  0
    3.9721    1.2695    1.5328 C   0  0  0  0  0
    4.1417    2.4696    2.0081 N   0  0  0  0  0
    4.7678    3.0758    0.9481 C   0  0  0  0  0
    4.9954    2.3090   -0.1299 N   0  0  0  0  0
    4.4606    1.1351    0.2651 N   0  0  0  0  0
    3.1730   -2.3728    0.2453 C   0  0  0  0  0
    3.8234   -3.4047    1.1646 C   0  0  0  0  0
    1.7443   -2.4579    0.4296 O   0  0  0  0  0
    1.0059   -1.8421   -0.5355 C   0  0  0  0  0
    1.4866   -1.3508   -1.5453 O   0  0  0  0  0
   -0.3061   -1.8698   -0.1583 N   0  0  0  0  0
   -1.3965   -1.2373   -0.7807 C   0  0  0  0  0
   -1.2716   -0.3808   -1.8772 C   0  0  0  0  0
   -2.3994    0.2343   -2.4289 C   0  0  0  0  0
   -3.6616   -0.0073   -1.8935 C   0  0  0  0  0
   -3.7972   -0.8602   -0.8014 C   0  0  0  0  0
   -2.6689   -1.4683   -0.2441 C   0  0  0  0  0
    4.7188   -1.4097   -1.9809 H   0  0  0  0  0
    5.7864   -0.0216   -1.8276 H   0  0  0  0  0
    4.1237    0.2008   -2.4093 H   0  0  0  0  0
    5.0715    4.1154    0.9640 H   0  0  0  0  0
    3.4094   -2.6734   -0.7818 H   0  0  0  0  0
    3.5389   -3.2550    2.2119 H   0  0  0  0  0
    4.9152   -3.3777    1.0877 H   0  0  0  0  0
    3.4830   -4.4115    0.8971 H   0  0  0  0  0
   -0.4804   -2.3910    0.6892 H   0  0  0  0  0
   -0.3068   -0.1533   -2.3195 H   0  0  0  0  0
   -2.2859    0.9057   -3.2765 H   0  0  0  0  0
   -4.5364    0.4714   -2.3254 H   0  0  0  0  0
   -4.7809   -1.0505   -0.3804 H   0  0  0  0  0
   -2.8013   -2.1275    0.6097 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  3  2  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 30  1  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 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
GSK2210875

>  <PubChem CID>
1489963

>  <Formula>
C14H14N4O2S

>  <Molecular Weight>
302.352000

>  <IUPAC Name>
[(1R)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(SC2=NC=NN12)C(C)OC(=O)NC3=CC=CC=C3

>  <Isomeric SMILES>
CC1=C(SC2=NC=NN12)[C@@H](C)OC(=O)NC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1

>  <InChI Key>
AOUUMBPBMVOBSP-SNVBAGLBSA-N

