N-{2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

• ChemBase ID: 773111
• Molecular Formular: C16H18N6OS
• Molecular Mass: 342.41872
• Monoisotopic Mass: 342.12628023
• SMILES: c12n(nc(n1)C)cccc2NC(=O)N1C(c2nccs2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1nccs1)Nc1cccn2c1nc(n2)C
• InChI: InChI=1S/C16H18N6OS/c1-11-18-14-12(5-4-9-22(14)20-11)19-16(23)21-8-3-2-6-13(21)15-17-7-10-24-15/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,19,23)
• InChIKey: CMXCYYASNDPOIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-{2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• Synonyms: N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.077223
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7707028
• LogD (pH = 7.4): 2.770923
• Log P: 2.771015
• Molar Refractivity: 103.7445 cm^3
• Polarizability: 34.24002 Å^3
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.08
• LOG S: -2.62
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 2