N-cyclopropyl-2-[4-({dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}amino)piperidin-1-yl]acetamide

• ChemBase ID: 393500
• Molecular Formular: C16H24N6OS
• Molecular Mass: 348.46636
• Monoisotopic Mass: 348.17323042
• SMILES: c12c(c(nn2C)C)sc(n1)NC1CCN(CC(=O)NC2CC2)CC1
• Canonical SMILES: O=C(NC1CC1)CN1CCC(CC1)Nc1sc2c(n1)n(nc2C)C
• InChI: InChI=1S/C16H24N6OS/c1-10-14-15(21(2)20-10)19-16(24-14)18-12-5-7-22(8-6-12)9-13(23)17-11-3-4-11/h11-12H,3-9H2,1-2H3,(H,17,23)(H,18,19)
• InChIKey: GTSPVYLWNOVWLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[4-({dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}amino)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[4-({dimethylpyrazolo[3,4-d][1,3]thiazol-5-yl}amino)piperidin-1-yl]acetamide
• Synonyms: N-cyclopropyl-2-{4-[(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]piperidin-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.434016
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.0478584
• LogD (pH = 7.4): 0.13931103
• Log P: 0.2278304
• Molar Refractivity: 105.9586 cm^3
• Polarizability: 36.14893 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.51
• LOG S: -3.03
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 5