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

• ChemBase ID: 352955
• Molecular Formular: C15H18N2O2S
• Molecular Mass: 290.38062
• Monoisotopic Mass: 290.10889883
• SMILES: n1c(CC(=O)NCCOCc2ccccc2)csc1C
• Canonical SMILES: O=C(Cc1csc(n1)C)NCCOCc1ccccc1
• InChI: InChI=1S/C15H18N2O2S/c1-12-17-14(11-20-12)9-15(18)16-7-8-19-10-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,16,18)
• InChIKey: VKLAUNXESIXIPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.191183
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8715751
• LogD (pH = 7.4): 1.8729159
• Log P: 1.872933
• Molar Refractivity: 79.0177 cm^3
• Polarizability: 30.56818 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.45
• LOG S: -2.56
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7