
 CHEMBL2112938

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.5813    1.7590    0.3041 C   0  0  0  0  0
    2.8000    1.3446   -0.3856 N   0  0  0  0  0
    3.0911    2.2264   -1.5253 C   0  0  0  0  0
    4.4428    1.8694   -2.1710 C   0  0  0  0  0
    4.6424    0.3901   -2.3383 C   0  0  0  0  0
    3.8285   -0.4932   -1.7316 C   0  0  0  0  0
    2.6876   -0.0593   -0.8371 C   0  0  0  0  0
    3.9501   -1.9171   -1.8632 C   0  0  0  0  0
    3.2813   -2.5885   -2.8124 N   0  0  0  0  0
    3.6977   -4.1911   -2.6037 S   0  0  0  0  0
    4.7335   -4.0656   -1.2990 N   0  0  0  0  0
    4.7712   -2.7602   -1.0180 C   0  0  0  0  0
    5.7517   -2.1735    0.3238 S   0  0  0  0  0
    7.0509   -3.4439    0.4342 C   0  0  0  0  0
    7.9661   -3.4722   -0.7799 C   0  0  0  0  0
    8.6205   -2.2847   -0.8950 F   0  0  0  0  0
    1.6867    2.7789    0.6900 H   0  0  0  0  0
    1.3913    1.1140    1.1693 H   0  0  0  0  0
    0.7024    1.7273   -0.3499 H   0  0  0  0  0
    3.1372    3.2717   -1.1959 H   0  0  0  0  0
    2.2932    2.1607   -2.2778 H   0  0  0  0  0
    5.2626    2.2598   -1.5560 H   0  0  0  0  0
    4.5087    2.3571   -3.1502 H   0  0  0  0  0
    5.4669    0.0570   -2.9617 H   0  0  0  0  0
    1.7452   -0.2132   -1.3812 H   0  0  0  0  0
    2.6587   -0.6946    0.0575 H   0  0  0  0  0
    6.6009   -4.4267    0.6059 H   0  0  0  0  0
    7.6475   -3.1992    1.3192 H   0  0  0  0  0
    7.4361   -3.6630   -1.7166 H   0  0  0  0  0
    8.7256   -4.2503   -0.6581 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  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
  6  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2112938

>  <PubChem CID>
10061124

>  <Formula>
C10H14FN3S2

>  <Molecular Weight>
259.361000

>  <IUPAC Name>
3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCC=C(C1)C2=NSN=C2SCCF

>  <Isomeric SMILES>
CN1CCC=C(C1)C2=NSN=C2SCCF

>  <InChI Std. ID>
InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3

>  <InChI Key>
CPKWHOIMDNYZJG-UHFFFAOYSA-N

