7-[3-(1,3-benzothiazol-2-yl)propanoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 666392
• Molecular Formular: C17H17N5O2S
• Molecular Mass: 355.41418
• Monoisotopic Mass: 355.11029581
• SMILES: c1(n2c(nc1)CN(C(=O)CCc1nc3c(s1)cccc3)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)CCc1nc2c(s1)cccc2
• InChI: InChI=1S/C17H17N5O2S/c18-17(24)12-9-19-14-10-21(7-8-22(12)14)16(23)6-5-15-20-11-3-1-2-4-13(11)25-15/h1-4,9H,5-8,10H2,(H2,18,24)
• InChIKey: ILHLZUFDCPUUSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872586
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.17512982
• LogD (pH = 7.4): 0.20339619
• Log P: 0.20377085
• Molar Refractivity: 92.8563 cm^3
• Polarizability: 36.421047 Å^3
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.05
• LOG S: -3.15
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 4