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

• ChemBase ID: 509108
• Molecular Formular: C15H13N5O2S
• Molecular Mass: 327.36102
• Monoisotopic Mass: 327.07899568
• SMILES: c1(n2c(nc1)CN(C(=O)c1cc3scnc3cc1)CC2)C(=O)N
• Canonical SMILES: O=C(c1ccc2c(c1)scn2)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C15H13N5O2S/c16-14(21)11-6-17-13-7-19(3-4-20(11)13)15(22)9-1-2-10-12(5-9)23-8-18-10/h1-2,5-6,8H,3-4,7H2,(H2,16,21)
• InChIKey: GIIZRYGJTFHYSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(1,3-benzothiazole-6-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(1,3-benzothiazole-6-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(1,3-benzothiazol-6-ylcarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.11516759
• LogD (pH = 7.4): -0.08694778
• Log P: -0.08657372
• Molar Refractivity: 84.7785 cm^3
• Polarizability: 32.54682 Å^3
• Polar Surface Area: 94.11 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: 0.46
• LOG S: -1.98
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 2