N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(morpholin-4-yl)pyridine-3-carboxamide

• ChemBase ID: 731101
• Molecular Formular: C17H19N5O2S
• Molecular Mass: 357.43006
• Monoisotopic Mass: 357.12594587
• SMILES: c12nc(cn1ccs2)C(NC(=O)c1c(N2CCOCC2)nccc1)C
• Canonical SMILES: O=C(c1cccnc1N1CCOCC1)NC(c1cn2c(n1)scc2)C
• InChI: InChI=1S/C17H19N5O2S/c1-12(14-11-22-7-10-25-17(22)20-14)19-16(23)13-3-2-4-18-15(13)21-5-8-24-9-6-21/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,23)
• InChIKey: DKMHUJMLJWWMGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(morpholin-4-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(morpholin-4-yl)pyridine-3-carboxamide
• Synonyms: N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-morpholin-4-ylnicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.102901
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3669423
• LogD (pH = 7.4): 1.5065161
• Log P: 1.5086049
• Molar Refractivity: 107.7315 cm^3
• Polarizability: 35.712887 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.02
• LOG S: -3.53
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4