N,3-dimethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

• ChemBase ID: 768615
• Molecular Formular: C15H13N5OS2
• Molecular Mass: 343.42662
• Monoisotopic Mass: 343.05615206
• SMILES: c12c(N(Cc3nc(sc3)c3sccc3)C)ncnc1onc2C
• Canonical SMILES: CN(c1ncnc2c1c(C)no2)Cc1csc(n1)c1cccs1
• InChI: InChI=1S/C15H13N5OS2/c1-9-12-13(16-8-17-14(12)21-19-9)20(2)6-10-7-23-15(18-10)11-4-3-5-22-11/h3-5,7-8H,6H2,1-2H3
• InChIKey: HCAZPKGLLZKFAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3-dimethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,3-dimethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N,3-dimethyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}isoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8975387
• LogD (pH = 7.4): 2.9011028
• Log P: 2.9011483
• Molar Refractivity: 101.0685 cm^3
• Polarizability: 34.32752 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.96
• LOG S: -4.23
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 4