5-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide

• ChemBase ID: 850241
• Molecular Formular: C17H15ClN2O2S
• Molecular Mass: 346.8312
• Monoisotopic Mass: 346.05427641
• SMILES: c1(oc(C(=O)NCCc2c(ncs2)C)cc1)c1c(Cl)cccc1
• Canonical SMILES: O=C(c1ccc(o1)c1ccccc1Cl)NCCc1scnc1C
• InChI: InChI=1S/C17H15ClN2O2S/c1-11-16(23-10-20-11)8-9-19-17(21)15-7-6-14(22-15)12-4-2-3-5-13(12)18/h2-7,10H,8-9H2,1H3,(H,19,21)
• InChIKey: IQYSBACSUPUNAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
• IUPAC Traditional name: 5-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
• Synonyms: 5-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.47318
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2144887
• LogD (pH = 7.4): 3.2148125
• Log P: 3.2148166
• Molar Refractivity: 91.3045 cm^3
• Polarizability: 35.68305 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -4.46
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5