N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 864418
• Molecular Formular: C15H16N4O3S
• Molecular Mass: 332.37754
• Monoisotopic Mass: 332.09431139
• SMILES: c1(sc(nc1C)C(C)C)C(=O)NCc1nc(on1)c1occc1
• Canonical SMILES: O=C(c1sc(nc1C)C(C)C)NCc1noc(n1)c1ccco1
• InChI: InChI=1S/C15H16N4O3S/c1-8(2)15-17-9(3)12(23-15)13(20)16-7-11-18-14(22-19-11)10-5-4-6-21-10/h4-6,8H,7H2,1-3H3,(H,16,20)
• InChIKey: JSYJFIHMQAKERZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-2-isopropyl-4-methyl-1,3-thiazole-5-carboxamide
• Synonyms: N-{[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl}-2-isopropyl-4-methyl-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.4788065
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4621356
• LogD (pH = 7.4): 2.462192
• Log P: 2.462193
• Molar Refractivity: 95.4911 cm^3
• Polarizability: 31.975605 Å^3
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.76
• LOG S: -3.13
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 5