2-({8-methylimidazo[1,2-a]pyridin-2-yl}formamido)-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 612311
• Molecular Formular: C14H13N5O2S
• Molecular Mass: 315.35032
• Monoisotopic Mass: 315.07899568
• SMILES: n1c(cn2c1c(ccc2)C)C(=O)NCC(=O)Nc1nccs1
• Canonical SMILES: O=C(Nc1nccs1)CNC(=O)c1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C14H13N5O2S/c1-9-3-2-5-19-8-10(17-12(9)19)13(21)16-7-11(20)18-14-15-4-6-22-14/h2-6,8H,7H2,1H3,(H,16,21)(H,15,18,20)
• InChIKey: KLUITBYNBOXTLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({8-methylimidazo[1,2-a]pyridin-2-yl}formamido)-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-({8-methylimidazo[1,2-a]pyridin-2-yl}formamido)-N-(1,3-thiazol-2-yl)acetamide
• Synonyms: 8-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.612754
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.980318
• LogD (pH = 7.4): 0.9881091
• Log P: 0.9884655
• Molar Refractivity: 83.6243 cm^3
• Polarizability: 30.251934 Å^3
• Polar Surface Area: 88.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.55
• LOG S: -2.82
• Polar Surface Area: 88.39 Å^2
• Rotatable Bonds: 4