2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

• ChemBase ID: 308751
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(nc(cs1)C)C(CN)C
• Canonical SMILES: CC(c1nc(cs1)C)CN
• InChI: InChI=1S/C7H12N2S/c1-5(3-8)7-9-6(2)4-10-7/h4-5H,3,8H2,1-2H3
• InChIKey: VFPDFRBRTYGSRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
• IUPAC Traditional name: 2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
• Synonyms: 2-(4-methyl-1,3-thiazol-2-yl)-1-propanamine

Database IDs

• CAS Number: 1017185-91-9
• MDL Number: MFCD09891726

CALCULATED PROPERTIES

• LogD (pH = 5.5): -2.2411046
• LogD (pH = 7.4): -1.262758
• Log P: 0.74234265
• Molar Refractivity: 42.9322 cm^3
• Polarizability: 16.829138 Å^3
• Polar Surface Area: 38.91 Å^2
• H Acceptors: 2
• H Donor: 1