2-(dimethyl-1,3-thiazol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

• ChemBase ID: 542551
• Molecular Formular: C19H24N2OS
• Molecular Mass: 328.47166
• Monoisotopic Mass: 328.1609344
• SMILES: c1(sc(nc1C)C)CC(=O)NC(c1cc2c(cc1)CCCC2)C
• Canonical SMILES: O=C(Cc1sc(nc1C)C)NC(c1ccc2c(c1)CCCC2)C
• InChI: InChI=1S/C19H24N2OS/c1-12(16-9-8-15-6-4-5-7-17(15)10-16)21-19(22)11-18-13(2)20-14(3)23-18/h8-10,12H,4-7,11H2,1-3H3,(H,21,22)
• InChIKey: CXERKFUXXQJFEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• Synonyms: 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.391191
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6648166
• LogD (pH = 7.4): 3.6666732
• Log P: 3.666697
• Molar Refractivity: 94.6228 cm^3
• Polarizability: 36.262863 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.74
• LOG S: -4.79
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4