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

• ChemBase ID: 308166
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(c(sc1CC)CN)C
• Canonical SMILES: CCc1nc(c(s1)CN)C
• InChI: InChI=1S/C7H12N2S/c1-3-7-9-5(2)6(4-8)10-7/h3-4,8H2,1-2H3
• InChIKey: CSPLHIGERKRTEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1177362-22-9
• MDL Number: MFCD10686582

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9627888
• LogD (pH = 7.4): -0.46806538
• Log P: 0.8452172
• Molar Refractivity: 43.183 cm^3
• Polarizability: 16.828325 Å^3
• Polar Surface Area: 38.91 Å^2