N-[1-(cyclohex-1-en-1-yl)ethyl]-2-(dimethyl-1,3-thiazol-5-yl)acetamide

• ChemBase ID: 743470
• Molecular Formular: C15H22N2OS
• Molecular Mass: 278.41298
• Monoisotopic Mass: 278.14528433
• SMILES: c1(sc(nc1C)C)CC(=O)NC(C1=CCCCC1)C
• Canonical SMILES: O=C(Cc1sc(nc1C)C)NC(C1=CCCCC1)C
• InChI: InChI=1S/C15H22N2OS/c1-10(13-7-5-4-6-8-13)17-15(18)9-14-11(2)16-12(3)19-14/h7,10H,4-6,8-9H2,1-3H3,(H,17,18)
• InChIKey: FTFOUVXTJNSOQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohex-1-en-1-yl)ethyl]-2-(dimethyl-1,3-thiazol-5-yl)acetamide
• IUPAC Traditional name: N-[1-(cyclohex-1-en-1-yl)ethyl]-2-(dimethyl-1,3-thiazol-5-yl)acetamide
• Synonyms: N-(1-cyclohex-1-en-1-ylethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.404408
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2747467
• LogD (pH = 7.4): 2.2766035
• Log P: 2.2766273
• Molar Refractivity: 79.046 cm^3
• Polarizability: 30.273884 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: 2.72
• LOG S: -3.55
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4