5-ethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 323621
• Molecular Formular: C16H15N5S2
• Molecular Mass: 341.4538
• Monoisotopic Mass: 341.07688751
• SMILES: n12c(nc(cc1NCc1nc(sc1)c1sccc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCc2csc(n2)c2cccs2)n2c(n1)ccn2
• InChI: InChI=1S/C16H15N5S2/c1-2-11-8-15(21-14(19-11)5-6-18-21)17-9-12-10-23-16(20-12)13-4-3-7-22-13/h3-8,10,17H,2,9H2,1H3
• InChIKey: SWFBJGIIOIAFRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.31353
• LogD (pH = 7.4): 3.313603
• Log P: 3.3136039
• Molar Refractivity: 113.7294 cm^3
• Polarizability: 35.297585 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.82
• LOG S: -4.95
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5