N,1,3-trimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

• ChemBase ID: 518450
• Molecular Formular: C12H15N5OS
• Molecular Mass: 277.3454
• Monoisotopic Mass: 277.09973113
• SMILES: c12nc(sc1c(nn2C)C)N(C(c1nocc1)C)C
• Canonical SMILES: CN(C(c1nocc1)C)c1sc2c(n1)n(nc2C)C
• InChI: InChI=1S/C12H15N5OS/c1-7-10-11(17(4)14-7)13-12(19-10)16(3)8(2)9-5-6-18-15-9/h5-6,8H,1-4H3
• InChIKey: XWWBMARRCXHLPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3-trimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N,1,3-trimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazolo[3,4-d][1,3]thiazol-5-amine
• Synonyms: N-(1-isoxazol-3-ylethyl)-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2151742
• LogD (pH = 7.4): 2.2152622
• Log P: 2.2152634
• Molar Refractivity: 84.7539 cm^3
• Polarizability: 27.576017 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.12
• LOG S: -2.18
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 3