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

• ChemBase ID: 729610
• Molecular Formular: C13H17N5OS
• Molecular Mass: 291.37198
• Monoisotopic Mass: 291.11538119
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(C(c1scnc1)C)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)CNCC2)C(c1cncs1)C
• InChI: InChI=1S/C13H17N5OS/c1-9(11-5-15-8-20-11)17(2)13(19)10-7-18-4-3-14-6-12(18)16-10/h5,7-9,14H,3-4,6H2,1-2H3
• InChIKey: CTXVTDNVVJDVFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9549095
• LogD (pH = 7.4): 0.09372085
• Log P: 0.15456529
• Molar Refractivity: 77.0392 cm^3
• Polarizability: 29.170534 Å^3
• Polar Surface Area: 63.05 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: -1.49
• LOG S: -1.36
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 3