N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 362316
• Molecular Formular: C15H18N6S
• Molecular Mass: 314.40862
• Monoisotopic Mass: 314.13136561
• SMILES: n12c(nc(cc1NCc1nc3n(c1)CCS3)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCc2cn3c(n2)SCC3)n2c(n1)ccn2
• InChI: InChI=1S/C15H18N6S/c1-2-3-11-8-14(21-13(18-11)4-5-17-21)16-9-12-10-20-6-7-22-15(20)19-12/h4-5,8,10,16H,2-3,6-7,9H2,1H3
• InChIKey: MHNDYTHJRBPMGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.24172
• LogD (pH = 7.4): 2.283365
• Log P: 2.2839243
• Molar Refractivity: 99.4484 cm^3
• Polarizability: 33.162857 Å^3
• Polar Surface Area: 60.04 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: 1.8
• LOG S: -3.03
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5