N-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-1,4-dimethyl-1H-pyrazol-5-amine

• ChemBase ID: 443710
• Molecular Formular: C11H14N6S
• Molecular Mass: 262.33406
• Monoisotopic Mass: 262.10006548
• SMILES: c12c(c(nn2C)C)sc(n1)Nc1c(cnn1C)C
• Canonical SMILES: Cc1nn(c2c1sc(n2)Nc1c(C)cnn1C)C
• InChI: InChI=1S/C11H14N6S/c1-6-5-12-16(3)9(6)13-11-14-10-8(18-11)7(2)15-17(10)4/h5H,1-4H3,(H,13,14)
• InChIKey: RQZHUZVYZAWOIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polarizability: 26.386683 Å^3
• Polar Surface Area: 60.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.418897
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8374323
• LogD (pH = 7.4): 1.8384497
• Log P: 1.8384631
• Molar Refractivity: 91.9831 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 60.56 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 1
• Log P: 2.0
• LOG S: -2.82