1-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-2-(5-methyl-1,2-oxazol-3-yl)piperidine

• ChemBase ID: 546345
• Molecular Formular: C15H19N5OS
• Molecular Mass: 317.40926
• Monoisotopic Mass: 317.13103125
• SMILES: c12nc(sc1c(nn2C)C)N1C(c2noc(c2)C)CCCC1
• Canonical SMILES: Cc1onc(c1)C1CCCCN1c1nc2c(s1)c(nn2C)C
• InChI: InChI=1S/C15H19N5OS/c1-9-8-11(18-21-9)12-6-4-5-7-20(12)15-16-14-13(22-15)10(2)17-19(14)3/h8,12H,4-7H2,1-3H3
• InChIKey: KEMPLUAAACYFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-2-(5-methyl-1,2-oxazol-3-yl)piperidine
• IUPAC Traditional name: 1-{dimethylpyrazolo[3,4-d][1,3]thiazol-5-yl}-2-(5-methyl-1,2-oxazol-3-yl)piperidine
• Synonyms: 1,3-dimethyl-5-[2-(5-methylisoxazol-3-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.908296
• LogD (pH = 7.4): 2.9083817
• Log P: 2.908383
• Molar Refractivity: 97.297 cm^3
• Polarizability: 32.280807 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.79
• LOG S: -3.04
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 2