Molecule ID: 159326

IUPAC Name: 4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

Description: The molecule is a member of the class of guanidines that is tetrahydropyrimidin-2(1H)-imine in which the hydrogen of the imino group is replaced by a thiazol-2-yl group which in turn is substituted by a 2-(2,4-dimethylphenoxy)phenyl group at position 4. It has been used for the topical treatment of fungal nail infections. It has a role as an antifungal drug. It is a member of 1,3-thiazoles, an aromatic ether and a member of guanidines.

SMILES: Cc1ccc(Oc2ccccc2-c2csc(NC3=NCCCN3)n2)c(C)c1

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

InChI: InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)

Molecular Properties:
- Polar Surface Area: 86.8 Ų
- LogP: 4.3