[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]methanamine

• ChemBase ID: 308114
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: n1c(sc(c1C)CN)C(C)C
• Canonical SMILES: NCc1sc(nc1C)C(C)C
• InChI: InChI=1S/C8H14N2S/c1-5(2)8-10-6(3)7(4-9)11-8/h5H,4,9H2,1-3H3
• InChIKey: PTFLHXSPVJMQMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]methanamine
• IUPAC Traditional name: (2-isopropyl-4-methyl-1,3-thiazol-5-yl)methanamine
• Synonyms: 1-(2-isopropyl-4-methyl-1,3-thiazol-5-yl)methanamine

Database IDs

• CAS Number: 1119450-67-7
• MDL Number: MFCD10686573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4130882
• LogD (pH = 7.4): 0.09016352
• Log P: 1.3882035
• Molar Refractivity: 47.7575 cm^3
• Polarizability: 18.667582 Å^3
• Polar Surface Area: 38.91 Å^2