1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}azetidin-3-ol

• ChemBase ID: 319610
• Molecular Formular: C15H20N4O2S
• Molecular Mass: 320.4099
• Monoisotopic Mass: 320.1306969
• SMILES: c1(c(n2c(n1)scc2)CN1CC(C1)O)C(=O)N1CCCCC1
• Canonical SMILES: OC1CN(C1)Cc1c(nc2n1ccs2)C(=O)N1CCCCC1
• InChI: InChI=1S/C15H20N4O2S/c20-11-8-17(9-11)10-12-13(16-15-19(12)6-7-22-15)14(21)18-4-2-1-3-5-18/h6-7,11,20H,1-5,8-10H2
• InChIKey: BPZKBZXBCWQCBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}azetidin-3-ol
• IUPAC Traditional name: 1-{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}azetidin-3-ol
• Synonyms: 1-{[6-(piperidin-1-ylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}azetidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.792357
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2596978
• LogD (pH = 7.4): 0.38513917
• Log P: 0.38699764
• Molar Refractivity: 96.5679 cm^3
• Polarizability: 32.1361 Å^3
• Polar Surface Area: 61.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.58
• LOG S: -2.03
• Polar Surface Area: 61.08 Å^2
• Rotatable Bonds: 3