Molecule ID: 3277600

IUPAC Name: 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea

Description: The molecule is a member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor. It has a role as a receptor modulator and a serotonergic antagonist. It is a member of ureas, a member of indoles and a member of 1,2-thiazoles.

SMILES: Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)sn1

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

InChI: InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)

Molecular Properties:
- Polar Surface Area: 87.2 Ų
- LogP: 2.4