4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}thiomorpholine

• ChemBase ID: 568167
• Molecular Formular: C13H15N3OS
• Molecular Mass: 261.3427
• Monoisotopic Mass: 261.09358312
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CCSCC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCSCC1
• InChI: InChI=1S/C13H15N3OS/c1-10-2-3-12-14-11(9-16(12)8-10)13(17)15-4-6-18-7-5-15/h2-3,8-9H,4-7H2,1H3
• InChIKey: YLCXUKXZUYBCTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}thiomorpholine
• IUPAC Traditional name: 4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}thiomorpholine
• Synonyms: 6-methyl-2-(4-thiomorpholinylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3090647
• LogD (pH = 7.4): 1.3178589
• Log P: 1.3179723
• Molar Refractivity: 74.8375 cm^3
• Polarizability: 27.594854 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.41
• LOG S: -3.36
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1