6-(2-methoxyphenyl)-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 628418
• Molecular Formular: C15H13N7O2S
• Molecular Mass: 355.37442
• Monoisotopic Mass: 355.08514369
• SMILES: n12c(nc(c2)c2c(OC)cccc2)scc1C(=O)NCc1nnn[nH]1
• Canonical SMILES: COc1ccccc1c1cn2c(n1)scc2C(=O)NCc1nnn[nH]1
• InChI: InChI=1S/C15H13N7O2S/c1-24-12-5-3-2-4-9(12)10-7-22-11(8-25-15(22)17-10)14(23)16-6-13-18-20-21-19-13/h2-5,7-8H,6H2,1H3,(H,16,23)(H,18,19,20,21)
• InChIKey: NYVUDOQXXFAMEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenyl)-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-methoxyphenyl)-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2-methoxyphenyl)-N-(1H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.1187277
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.48526478
• LogD (pH = 7.4): -0.88649017
• Log P: 0.45071712
• Molar Refractivity: 104.7926 cm^3
• Polarizability: 34.85073 Å^3
• Polar Surface Area: 110.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.42
• LOG S: -3.0
• Polar Surface Area: 110.09 Å^2
• Rotatable Bonds: 5