4-{3-[2-(furan-3-yl)-1H-imidazol-1-yl]phenyl}-1,3-thiazole

• ChemBase ID: 578497
• Molecular Formular: C16H11N3OS
• Molecular Mass: 293.34304
• Monoisotopic Mass: 293.06228299
• SMILES: c1(n(c2cc(c3ncsc3)ccc2)ccn1)c1cocc1
• Canonical SMILES: c1cc(cc(c1)n1ccnc1c1cocc1)c1cscn1
• InChI: InChI=1S/C16H11N3OS/c1-2-12(15-10-21-11-18-15)8-14(3-1)19-6-5-17-16(19)13-4-7-20-9-13/h1-11H
• InChIKey: JMMWAOHLFJYCEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[2-(furan-3-yl)-1H-imidazol-1-yl]phenyl}-1,3-thiazole
• IUPAC Traditional name: 4-{3-[2-(furan-3-yl)imidazol-1-yl]phenyl}-1,3-thiazole
• Synonyms: 4-{3-[2-(3-furyl)-1H-imidazol-1-yl]phenyl}-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.325977
• LogD (pH = 7.4): 3.588284
• Log P: 3.5932946
• Molar Refractivity: 101.594 cm^3
• Polarizability: 33.295048 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.5
• LOG S: -5.18
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 3