6-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-ol

• ChemBase ID: 760601
• Molecular Formular: C14H15N3O2S
• Molecular Mass: 289.3528
• Monoisotopic Mass: 289.08849774
• SMILES: N1(C(=O)c2nc(O)ccc2)C(c2nccs2)CCCC1
• Canonical SMILES: Oc1cccc(n1)C(=O)N1CCCCC1c1nccs1
• InChI: InChI=1S/C14H15N3O2S/c18-12-6-3-4-10(16-12)14(19)17-8-2-1-5-11(17)13-15-7-9-20-13/h3-4,6-7,9,11H,1-2,5,8H2,(H,16,18)
• InChIKey: UKGYLUTWTPBIEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-ol
• IUPAC Traditional name: 6-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridin-2-ol
• Synonyms: 6-{[2-(1,3-thiazol-2-yl)-1-piperidinyl]carbonyl}-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.698579
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2488954
• LogD (pH = 7.4): 2.2488453
• Log P: 2.249063
• Molar Refractivity: 75.7306 cm^3
• Polarizability: 28.778933 Å^3
• Polar Surface Area: 66.32 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: 1.59
• LOG S: -3.4
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 2