3-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1,3-thiazolidine

• ChemBase ID: 522541
• Molecular Formular: C12H13N3OS
• Molecular Mass: 247.31612
• Monoisotopic Mass: 247.07793305
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CSCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N1CSCC1
• InChI: InChI=1S/C12H13N3OS/c1-9-2-3-14-7-10(13-11(14)6-9)12(16)15-4-5-17-8-15/h2-3,6-7H,4-5,8H2,1H3
• InChIKey: QLPFPEQOBWHLNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1,3-thiazolidine
• IUPAC Traditional name: 3-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1,3-thiazolidine
• Synonyms: 7-methyl-2-(1,3-thiazolidin-3-ylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2182374
• LogD (pH = 7.4): 1.2229544
• Log P: 1.2230148
• Molar Refractivity: 69.7782 cm^3
• Polarizability: 25.763357 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: 1.45
• LOG S: -2.82
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1