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

• ChemBase ID: 409510
• Molecular Formular: C16H19FN2OS
• Molecular Mass: 306.3982632
• Monoisotopic Mass: 306.12021246
• SMILES: C(=O)(Cc1c(ccc(c1)F)C)N(CCc1c(ncs1)C)C
• Canonical SMILES: Fc1ccc(c(c1)CC(=O)N(CCc1scnc1C)C)C
• InChI: InChI=1S/C16H19FN2OS/c1-11-4-5-14(17)8-13(11)9-16(20)19(3)7-6-15-12(2)18-10-21-15/h4-5,8,10H,6-7,9H2,1-3H3
• InChIKey: OZWQSYVBONBNPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8429358
• LogD (pH = 7.4): 2.8432596
• Log P: 2.8432636
• Molar Refractivity: 83.3008 cm^3
• Polarizability: 31.314495 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.35
• LOG S: -3.44
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5