N-(pyrazin-2-yl)-2-{[1-(thiophen-2-yl)propan-2-yl]amino}acetamide

• ChemBase ID: 338154
• Molecular Formular: C13H16N4OS
• Molecular Mass: 276.35734
• Monoisotopic Mass: 276.10448215
• SMILES: N(C(=O)CNC(Cc1sccc1)C)c1nccnc1
• Canonical SMILES: CC(Cc1cccs1)NCC(=O)Nc1cnccn1
• InChI: InChI=1S/C13H16N4OS/c1-10(7-11-3-2-6-19-11)16-9-13(18)17-12-8-14-4-5-15-12/h2-6,8,10,16H,7,9H2,1H3,(H,15,17,18)
• InChIKey: YLHMXGUIYBGTSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyrazin-2-yl)-2-{[1-(thiophen-2-yl)propan-2-yl]amino}acetamide
• IUPAC Traditional name: N-(pyrazin-2-yl)-2-{[1-(thiophen-2-yl)propan-2-yl]amino}acetamide
• Synonyms: 2-{[1-methyl-2-(2-thienyl)ethyl]amino}-N-pyrazin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.339927
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5794317
• LogD (pH = 7.4): 0.09552522
• Log P: 1.2211101
• Molar Refractivity: 75.8417 cm^3
• Polarizability: 28.65205 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.31
• LOG S: -2.33
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 6