7-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 722973
• Molecular Formular: C12H14N6O2S
• Molecular Mass: 306.34356
• Monoisotopic Mass: 306.08989472
• SMILES: c1(n2c(nc1)CN(C(=O)c1c(nns1)CC)CC2)C(=O)N
• Canonical SMILES: CCc1nnsc1C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C12H14N6O2S/c1-2-7-10(21-16-15-7)12(20)17-3-4-18-8(11(13)19)5-14-9(18)6-17/h5H,2-4,6H2,1H3,(H2,13,19)
• InChIKey: GYDSRJVSRNZMGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.87256
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.70223707
• LogD (pH = 7.4): -0.6740897
• Log P: -0.6737166
• Molar Refractivity: 77.0083 cm^3
• Polarizability: 27.959576 Å^3
• Polar Surface Area: 107.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.77
• LOG S: -2.08
• Polar Surface Area: 107.0 Å^2
• Rotatable Bonds: 3