-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.4292   -0.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3292   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4792    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9 12  2  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
  3  5  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <ID> (BBL000116)
BBL000116

>  <Rotatable_Bonds> (BBL000116)
1

>  <logP> (BBL000116)
2.949

>  <PSA> (BBL000116)
80.04

>  <H_Donors> (BBL000116)
2

>  <H_Acceptors> (BBL000116)
0

>  <Number_of_rings> (BBL000116)
2

>  <NAME> (BBL000116)
5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine

>  <Mol_Weight> (BBL000116)
205.28

>  <Mol_Formula> (BBL000116)
C10H11N3S

>  <Smiles> (BBL000116)
Nc1nnc(s1)c1ccc(c(c1)C)C

>  <Alternative_identifier> (BBL000116)
MFCD02220372

$$$$