1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-(1,3-thiazol-2-yl)piperazine

• ChemBase ID: 652798
• Molecular Formular: C16H17N5OS
• Molecular Mass: 327.40408
• Monoisotopic Mass: 327.11538119
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CCN(c2nccs2)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCN(CC1)c1nccs1
• InChI: InChI=1S/C16H17N5OS/c1-12-2-3-14-18-13(11-21(14)10-12)15(22)19-5-7-20(8-6-19)16-17-4-9-23-16/h2-4,9-11H,5-8H2,1H3
• InChIKey: LRQUVWAUYDJSHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-(1,3-thiazol-2-yl)piperazine
• IUPAC Traditional name: 1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-(1,3-thiazol-2-yl)piperazine
• Synonyms: 6-methyl-2-{[4-(1,3-thiazol-2-yl)-1-piperazinyl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 0
• Log P: 0.31
• LOG S: -3.16
• Polar Surface Area: 53.74 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0274491
• LogD (pH = 7.4): 2.0379608
• Log P: 2.0380962
• Molar Refractivity: 90.7077 cm^3
• Polarizability: 33.06974 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2