-ISIS-  08251614582D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.8542   -0.0750    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2542   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8667    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2167    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0667    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 10 11  1  0  0  0  0
  7  6  2  0  0  0  0
M  END
>  <ID> (STL391555)
STL391555

>  <Rotatable_Bonds> (STL391555)
3

>  <logP> (STL391555)
1.717

>  <PSA> (STL391555)
83.87

>  <H_Donors> (STL391555)
1

>  <H_Acceptors> (STL391555)
0

>  <Number_of_rings> (STL391555)
2

>  <NAME> (STL391555)
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

>  <Mol_Weight> (STL391555)
237.33

>  <Mol_Formula> (STL391555)
C10H15N5S

>  <Smiles> (STL391555)
CCNc1nnc(s1)Cn1nc(cc1C)C

$$$$