2-(dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide

• ChemBase ID: 658933
• Molecular Formular: C15H18N2O2S
• Molecular Mass: 290.38062
• Monoisotopic Mass: 290.10889883
• SMILES: c1(sc(nc1C)C)CC(=O)NCc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CNC(=O)Cc1sc(nc1C)C
• InChI: InChI=1S/C15H18N2O2S/c1-10-14(20-11(2)17-10)8-15(18)16-9-12-5-4-6-13(7-12)19-3/h4-7H,8-9H2,1-3H3,(H,16,18)
• InChIKey: UKBHIUYCZLWJQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide
• Synonyms: 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxybenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.090061
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.638316
• LogD (pH = 7.4): 1.6401727
• Log P: 1.6401966
• Molar Refractivity: 79.185 cm^3
• Polarizability: 30.472176 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.93
• LOG S: -3.67
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4