5-(1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-1H-1,2,3-triazol-4-yl)-2-methoxypyridine

• ChemBase ID: 505308
• Molecular Formular: C14H12N6OS
• Molecular Mass: 312.34968
• Monoisotopic Mass: 312.07933003
• SMILES: c12nc(cn1ccs2)Cn1nnc(c1)c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)c1nnn(c1)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C14H12N6OS/c1-21-13-3-2-10(6-15-13)12-9-20(18-17-12)8-11-7-19-4-5-22-14(19)16-11/h2-7,9H,8H2,1H3
• InChIKey: UEQWTNWHMNDANM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-1H-1,2,3-triazol-4-yl)-2-methoxypyridine
• IUPAC Traditional name: 5-(1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-1,2,3-triazol-4-yl)-2-methoxypyridine
• Synonyms: 6-{[4-(6-methoxypyridin-3-yl)-1H-1,2,3-triazol-1-yl]methyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.888537
• LogD (pH = 7.4): 1.8982444
• Log P: 1.8983696
• Molar Refractivity: 104.2472 cm^3
• Polarizability: 31.85231 Å^3
• Polar Surface Area: 70.13 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: 2.41
• LOG S: -3.54
• Polar Surface Area: 70.13 Å^2
• Rotatable Bonds: 4