2-(1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-1H-imidazol-2-yl)quinoline

• ChemBase ID: 838108
• Molecular Formular: C18H13N5S
• Molecular Mass: 331.39432
• Monoisotopic Mass: 331.08916644
• SMILES: c12nc(cn1ccs2)Cn1c(c2nc3c(cc2)cccc3)ncc1
• Canonical SMILES: c1ccc2c(c1)nc(cc2)c1nccn1Cc1cn2c(n1)scc2
• InChI: InChI=1S/C18H13N5S/c1-2-4-15-13(3-1)5-6-16(21-15)17-19-7-8-22(17)11-14-12-23-9-10-24-18(23)20-14/h1-10,12H,11H2
• InChIKey: IPHAEWQUSVOTPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-1H-imidazol-2-yl)quinoline
• IUPAC Traditional name: 2-(1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}imidazol-2-yl)quinoline
• Synonyms: 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1H-imidazol-2-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2597656
• LogD (pH = 7.4): 3.2725124
• Log P: 3.272677
• Molar Refractivity: 114.1052 cm^3
• Polarizability: 37.038612 Å^3
• Polar Surface Area: 48.01 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: 3.62
• LOG S: -5.82
• Polar Surface Area: 48.01 Å^2
• Rotatable Bonds: 3