7-[2-(dimethyl-1,3-thiazol-4-yl)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 617660
• Molecular Formular: C14H17N5O2S
• Molecular Mass: 319.38208
• Monoisotopic Mass: 319.11029581
• SMILES: c1(n2c(nc1)CN(C(=O)Cc1nc(sc1C)C)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)Cc1nc(sc1C)C
• InChI: InChI=1S/C14H17N5O2S/c1-8-10(17-9(2)22-8)5-13(20)18-3-4-19-11(14(15)21)6-16-12(19)7-18/h6H,3-5,7H2,1-2H3,(H2,15,21)
• InChIKey: NMIHUXCJPYDOTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(dimethyl-1,3-thiazol-4-yl)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[2-(dimethyl-1,3-thiazol-4-yl)acetyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872585
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4667535
• LogD (pH = 7.4): -0.43350425
• Log P: -0.43306565
• Molar Refractivity: 82.0926 cm^3
• Polarizability: 30.675957 Å^3
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.74
• LOG S: -2.17
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 3