N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 486976
• Molecular Formular: C16H17N7OS
• Molecular Mass: 355.41748
• Monoisotopic Mass: 355.1215292
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCCc1nc(sc1)c1nccnc1
• Canonical SMILES: O=C(c1cn2c(n1)CNCC2)NCCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C16H17N7OS/c24-15(13-9-23-6-5-18-8-14(23)22-13)20-2-1-11-10-25-16(21-11)12-7-17-3-4-19-12/h3-4,7,9-10,18H,1-2,5-6,8H2,(H,20,24)
• InChIKey: CGXRJURXQBVCME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.4354874
• LogD (pH = 7.4): -0.38545352
• Log P: -0.32436487
• Molar Refractivity: 102.5326 cm^3
• Polarizability: 35.823746 Å^3
• Polar Surface Area: 97.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.314009

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.04
• LOG S: -3.07
• Polar Surface Area: 97.62 Å^2
• Rotatable Bonds: 5