Molecule ID: 9109159

IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Description: The molecule is an N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine in which the chiral centre has S configuration. Both enantiomers act as fatty acid synthase inhibitors, although the (S)-enantiomer was found to be more than 4 times as active as the (R)-enantiomer. It has a role as a fatty acid synthesis inhibitor and an EC 2.3.1.85 (fatty acid synthase) inhibitor. It is an enantiomer of a (R)-Fasnall.

SMILES: Cc1sc2ncnc(N[C@H]3CCN(Cc4ccccc4)C3)c2c1C

SELFIES: [C][C][S][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][C@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C]

InChI: InChI=1S/C19H22N4S/c1-13-14(2)24-19-17(13)18(20-12-21-19)22-16-8-9-23(11-16)10-15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,20,21,22)/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.3 Ų
- LogP: 4.4