7-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 565278
• Molecular Formular: C13H12N6O2S
• Molecular Mass: 316.33838
• Monoisotopic Mass: 316.07424465
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1Cc2n(c(cn2)C(=O)N)CC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C13H12N6O2S/c14-11(20)9-5-15-10-7-17(1-2-19(9)10)12(21)8-6-18-3-4-22-13(18)16-8/h3-6H,1-2,7H2,(H2,14,20)
• InChIKey: PVBVMDUGQJDYLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872559
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0494957
• LogD (pH = 7.4): -1.021318
• Log P: -1.0209445
• Molar Refractivity: 90.7902 cm^3
• Polarizability: 29.037683 Å^3
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.59
• LOG S: -2.31
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 2