-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.5042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -0.6917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0167   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9917   -1.9792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
  5  6  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <ID> (BBL000844)
BBL000844

>  <SALTDATA> (BBL000844)
HBr

>  <Rotatable_Bonds> (BBL000844)
1

>  <logP> (BBL000844)
1.95

>  <PSA> (BBL000844)
49.69

>  <H_Donors> (BBL000844)
1

>  <H_Acceptors> (BBL000844)
0

>  <Number_of_rings> (BBL000844)
2

>  <NAME> (BBL000844)
5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine

>  <Mol_Weight> (BBL000844)
271.18

>  <Mol_Formula> (BBL000844)
C10H11BrN2S

>  <Smiles> (BBL000844)
BrCC1CN=C(S1)Nc1ccccc1

>  <Alternative_identifier> (BBL000844)
MFCD00995071

$$$$