2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)ethyl]acetamide

• ChemBase ID: 790544
• Molecular Formular: C19H17N5O2S
• Molecular Mass: 379.43558
• Monoisotopic Mass: 379.11029581
• SMILES: c12nc(cn1ccs2)CC(=O)NCCn1nc(ccc1=O)c1ccccc1
• Canonical SMILES: O=C(Cc1cn2c(n1)scc2)NCCn1nc(ccc1=O)c1ccccc1
• InChI: InChI=1S/C19H17N5O2S/c25-17(12-15-13-23-10-11-27-19(23)21-15)20-8-9-24-18(26)7-6-16(22-24)14-4-2-1-3-5-14/h1-7,10-11,13H,8-9,12H2,(H,20,25)
• InChIKey: VAMRCLIAPCXNBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
• Synonyms: 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-oxo-3-phenylpyridazin-1(6H)-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.067776
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6322029
• LogD (pH = 7.4): 1.6454449
• Log P: 1.6456165
• Molar Refractivity: 114.798 cm^3
• Polarizability: 38.49088 Å^3
• Polar Surface Area: 79.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.44
• LOG S: -3.2
• Polar Surface Area: 81.29 Å^2
• Rotatable Bonds: 6