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

• ChemBase ID: 408980
• Molecular Formular: C15H18N6S
• Molecular Mass: 314.40862
• Monoisotopic Mass: 314.13136561
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCc1nc2n(c1)CCS2)C
• Canonical SMILES: Cc1cc(NCc2nc3n(c2)CCS3)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C15H18N6S/c1-9-6-13(21-14(17-9)10(2)11(3)19-21)16-7-12-8-20-4-5-22-15(20)18-12/h6,8,16H,4-5,7H2,1-3H3
• InChIKey: IPXLDZDYNJYPIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7411284
• LogD (pH = 7.4): 1.7830485
• Log P: 1.7836113
• Molar Refractivity: 99.8532 cm^3
• Polarizability: 33.00536 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.66
• LOG S: -2.91
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 3