1-(dimethyl-1,3-thiazol-4-yl)ethan-1-amine

• ChemBase ID: 310425
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(nc(sc1C)C)C(N)C
• Canonical SMILES: Cc1nc(c(s1)C)C(N)C
• InChI: InChI=1S/C7H12N2S/c1-4(8)7-5(2)10-6(3)9-7/h4H,8H2,1-3H3
• InChIKey: MDCXDQDXBQAJQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,3-thiazol-4-yl)ethan-1-amine
• IUPAC Traditional name: 1-(dimethyl-1,3-thiazol-4-yl)ethanamine
• Synonyms: 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

Database IDs

• MDL Number: MFCD09041138

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5598787
• LogD (pH = 7.4): 0.010471055
• Log P: 1.1769687
• Molar Refractivity: 43.2085 cm^3
• Polarizability: 16.829994 Å^3
• Polar Surface Area: 38.91 Å^2