7-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 386341
• Molecular Formular: C16H22N6O2S
• Molecular Mass: 362.44988
• Monoisotopic Mass: 362.15249497
• SMILES: c1(n2c(nc1C)CN(C(=O)CCc1nc(sc1)N)CC2)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCn2c(C1)nc(c2C(=O)N(C)C)C)CCc1csc(n1)N
• InChI: InChI=1S/C16H22N6O2S/c1-10-14(15(24)20(2)3)22-7-6-21(8-12(22)18-10)13(23)5-4-11-9-25-16(17)19-11/h9H,4-8H2,1-3H3,(H2,17,19)
• InChIKey: HZSBMQDYTXXKRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.73421
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9152931
• LogD (pH = 7.4): -0.83638257
• Log P: -0.8353105
• Molar Refractivity: 95.7034 cm^3
• Polarizability: 35.56523 Å^3
• Polar Surface Area: 97.35 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: -1.19
• LOG S: -2.14
• Polar Surface Area: 97.35 Å^2
• Rotatable Bonds: 4