4-{5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridine

• ChemBase ID: 493907
• Molecular Formular: C13H12N4OS
• Molecular Mass: 272.32558
• Monoisotopic Mass: 272.07318202
• SMILES: n1c(noc1CCc1c(ncs1)C)c1ccncc1
• Canonical SMILES: Cc1ncsc1CCc1onc(n1)c1ccncc1
• InChI: InChI=1S/C13H12N4OS/c1-9-11(19-8-15-9)2-3-12-16-13(17-18-12)10-4-6-14-7-5-10/h4-8H,2-3H2,1H3
• InChIKey: KYYMNPLMZSAKQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridine
• IUPAC Traditional name: 4-{5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridine
• Synonyms: 4-{5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2759314
• LogD (pH = 7.4): 2.278177
• Log P: 2.2782056
• Molar Refractivity: 83.4299 cm^3
• Polarizability: 27.495884 Å^3
• Polar Surface Area: 64.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.89
• LOG S: -2.8
• Polar Surface Area: 64.7 Å^2
• Rotatable Bonds: 4