N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 341213
• Molecular Formular: C15H16N6OS
• Molecular Mass: 328.39214
• Monoisotopic Mass: 328.11063016
• SMILES: n12c(nc(cc1NCCc1nc3n(c1)ccs3)COC)ccn2
• Canonical SMILES: COCc1cc(NCCc2cn3c(n2)scc3)n2c(n1)ccn2
• InChI: InChI=1S/C15H16N6OS/c1-22-10-12-8-14(21-13(18-12)3-5-17-21)16-4-2-11-9-20-6-7-23-15(20)19-11/h3,5-9,16H,2,4,10H2,1H3
• InChIKey: VHAXGSQHAMZOGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0077772
• LogD (pH = 7.4): 1.0348958
• Log P: 1.035253
• Molar Refractivity: 110.5098 cm^3
• Polarizability: 32.787376 Å^3
• Polar Surface Area: 68.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.57
• LOG S: -3.79
• Polar Surface Area: 68.75 Å^2
• Rotatable Bonds: 6