N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide

• ChemBase ID: 657672
• Molecular Formular: C16H15N7OS
• Molecular Mass: 353.4016
• Monoisotopic Mass: 353.10587914
• SMILES: n1(nnnc1C)c1ccc(CC(=O)NCc2nc3n(c2)ccs3)cc1
• Canonical SMILES: O=C(Cc1ccc(cc1)n1nnnc1C)NCc1cn2c(n1)scc2
• InChI: InChI=1S/C16H15N7OS/c1-11-19-20-21-23(11)14-4-2-12(3-5-14)8-15(24)17-9-13-10-22-6-7-25-16(22)18-13/h2-7,10H,8-9H2,1H3,(H,17,24)
• InChIKey: JULZKDJBWKPUCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide
• IUPAC Traditional name: N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-[4-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]acetamide
• Synonyms: N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[4-(5-methyl-1H-tetrazol-1-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.604017
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8042629
• LogD (pH = 7.4): 0.8140402
• Log P: 0.81416655
• Molar Refractivity: 107.0049 cm^3
• Polarizability: 35.426598 Å^3
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.68
• LOG S: -4.39
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5