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

• ChemBase ID: 308095
• Molecular Formular: C7H12N2OS
• Molecular Mass: 172.24798
• Monoisotopic Mass: 172.06703401
• SMILES: n1c(c(sc1COC)CN)C
• Canonical SMILES: COCc1nc(c(s1)CN)C
• InChI: InChI=1S/C7H12N2OS/c1-5-6(3-8)11-7(9-5)4-10-2/h3-4,8H2,1-2H3
• InChIKey: ODSQVRPSJWBKRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1119452-01-5
• MDL Number: MFCD11053916

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7159648
• LogD (pH = 7.4): -1.1078675
• Log P: -0.02944019
• Molar Refractivity: 45.0095 cm^3
• Polarizability: 17.62509 Å^3
• Polar Surface Area: 48.14 Å^2