2-(dimethylamino)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(3-methylphenyl)acetamide

• ChemBase ID: 370695
• Molecular Formular: C18H25N3OS
• Molecular Mass: 331.4756
• Monoisotopic Mass: 331.17183344
• SMILES: C(=O)(C(c1cc(ccc1)C)N(C)C)N(CCc1c(ncs1)C)C
• Canonical SMILES: Cc1cccc(c1)C(C(=O)N(CCc1scnc1C)C)N(C)C
• InChI: InChI=1S/C18H25N3OS/c1-13-7-6-8-15(11-13)17(20(3)4)18(22)21(5)10-9-16-14(2)19-12-23-16/h6-8,11-12,17H,9-10H2,1-5H3
• InChIKey: MSOFZOKWNLYHOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(3-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(3-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.80096257
• LogD (pH = 7.4): 2.394203
• Log P: 2.6941497
• Molar Refractivity: 96.1494 cm^3
• Polarizability: 36.837 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.63
• LOG S: -3.86
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6