Molecule ID: 61808

IUPAC Name: 4-methyl-2-propan-2-yl-1,3-thiazole

Description: The molecule is a 1,3-thiazole that is substituted at positions 2 and 4 by isopropyl and methyl groups, respectively. A fruit flavour intensifier, it has a peach flavour with distinct vegetable and tropical notes. Also used in apricot, nectarine, durian, mango, pear and blackcurrant flavours. Present in Indonesian durian fruit (Durio zibethinus), red tomatoes, yeast extract, coriander seed oil, and roast meats. It has a role as a flavouring agent and a Maillard reaction product.

SMILES: Cc1csc(C(C)C)n1

SELFIES: [C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2]

InChI: InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3

Molecular Properties:
- Polar Surface Area: 41.1 Ų
- LogP: 2.5