[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine

• ChemBase ID: 306853
• Molecular Formular: C11H12N2OS
• Molecular Mass: 220.29078
• Monoisotopic Mass: 220.06703401
• SMILES: c1(ncc(s1)CN)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ncc(s1)CN
• InChI: InChI=1S/C11H12N2OS/c1-14-9-4-2-3-8(5-9)11-13-7-10(6-12)15-11/h2-5,7H,6,12H2,1H3
• InChIKey: KXXKCTCCCGUWRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08060596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8939049
• LogD (pH = 7.4): 0.7351032
• Log P: 1.7573454
• Molar Refractivity: 71.0887 cm^3
• Polarizability: 24.261751 Å^3
• Polar Surface Area: 48.14 Å^2