[(2-methoxy-4-methyl-1,3-thiazol-5-yl)methyl][2-(4-methoxyphenyl)ethyl]amine

• ChemBase ID: 72037
• Molecular Formular: C15H20N2O2S
• Molecular Mass: 292.3965
• Monoisotopic Mass: 292.12454889
• SMILES: n1c(sc(c1C)CNCCc1ccc(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)CCNCc1sc(nc1C)OC
• InChI: InChI=1S/C15H20N2O2S/c1-11-14(20-15(17-11)19-3)10-16-9-8-12-4-6-13(18-2)7-5-12/h4-7,16H,8-10H2,1-3H3
• InChIKey: DPMYTYHVKAVEAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxy-4-methyl-1,3-thiazol-5-yl)methyl][2-(4-methoxyphenyl)ethyl]amine
• IUPAC Traditional name: [(2-methoxy-4-methyl-1,3-thiazol-5-yl)methyl][2-(4-methoxyphenyl)ethyl]amine
• Synonyms: N-[(2-Methoxy-4-methyl-1,3-thiazol-5-yl)-methyl]-2-(4-methoxyphenyl)ethanamine

Database IDs

• PubChem SID: 162103956
• PubChem CID: 16494888

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14811711
• LogD (pH = 7.4): 1.3940837
• Log P: 2.8362389
• Molar Refractivity: 80.6573 cm^3
• Polarizability: 31.478521 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT