4-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}morpholine-2-carboxamide

• ChemBase ID: 437455
• Molecular Formular: C11H15N5O2S
• Molecular Mass: 281.3341
• Monoisotopic Mass: 281.09464575
• SMILES: c12nc(sc1c(nn2C)C)N1CC(C(=O)N)OCC1
• Canonical SMILES: NC(=O)C1OCCN(C1)c1sc2c(n1)n(nc2C)C
• InChI: InChI=1S/C11H15N5O2S/c1-6-8-10(15(2)14-6)13-11(19-8)16-3-4-18-7(5-16)9(12)17/h7H,3-5H2,1-2H3,(H2,12,17)
• InChIKey: JVJTYJROHSTTPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}morpholine-2-carboxamide
• IUPAC Traditional name: 4-{dimethylpyrazolo[3,4-d][1,3]thiazol-5-yl}morpholine-2-carboxamide
• Synonyms: 4-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.211693
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.14041531
• LogD (pH = 7.4): 0.1405041
• Log P: 0.14050524
• Molar Refractivity: 81.4542 cm^3
• Polarizability: 26.916952 Å^3
• Polar Surface Area: 86.27 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: -0.89
• LOG S: -1.8
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 2