{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amine

• ChemBase ID: 560561
• Molecular Formular: C14H13N5O2S
• Molecular Mass: 315.35032
• Monoisotopic Mass: 315.07899568
• SMILES: c12nc(cn1ccs2)C(NCc1nc(no1)c1occc1)C
• Canonical SMILES: CC(c1cn2c(n1)scc2)NCc1onc(n1)c1ccco1
• InChI: InChI=1S/C14H13N5O2S/c1-9(10-8-19-4-6-22-14(19)16-10)15-7-12-17-13(18-21-12)11-3-2-5-20-11/h2-6,8-9,15H,7H2,1H3
• InChIKey: VNYHRNBYHROKFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amine
• IUPAC Traditional name: {[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amine
• Synonyms: N-{[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl}-1-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7218071
• LogD (pH = 7.4): 2.200432
• Log P: 2.2117212
• Molar Refractivity: 103.0898 cm^3
• Polarizability: 30.945543 Å^3
• Polar Surface Area: 81.39 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: 0.64
• LOG S: -1.04
• Polar Surface Area: 81.39 Å^2
• Rotatable Bonds: 5