(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine

• ChemBase ID: 308170
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: n1c(c(sc1CCC)CN)C
• Canonical SMILES: CCCc1nc(c(s1)CN)C
• InChI: InChI=1S/C8H14N2S/c1-3-4-8-10-6(2)7(5-9)11-8/h3-5,9H2,1-2H3
• InChIKey: NIDGNDCNXFGEDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine
• IUPAC Traditional name: (4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine
• Synonyms: 1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine

Database IDs

• MDL Number: MFCD09971281

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5167131
• LogD (pH = 7.4): -0.020042883
• Log P: 1.2897859
• Molar Refractivity: 47.784 cm^3
• Polarizability: 18.66749 Å^3
• Polar Surface Area: 38.91 Å^2