Molecule ID: 2756

IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

Description: The molecule is a member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. It has a role as a H2-receptor antagonist, a P450 inhibitor, an anti-ulcer drug, an analgesic and an adjuvant. It is a member of guanidines, a member of imidazoles, an aliphatic sulfide and a nitrile.

SMILES: CN=C(NC#N)NCCSCc1[nH]cnc1C

SELFIES: [C][N][=C][Branch1][Ring2][N][C][#N][N][C][C][S][C][C][NH1][C][=N][C][=Ring1][Branch1][C]

InChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: 0.4