2-(morpholin-3-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide

• ChemBase ID: 752267
• Molecular Formular: C15H19N5O2S
• Molecular Mass: 333.40866
• Monoisotopic Mass: 333.12594587
• SMILES: c1(nc(cs1)CCNC(=O)CC1NCCOC1)c1nccnc1
• Canonical SMILES: O=C(CC1COCCN1)NCCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C15H19N5O2S/c21-14(7-12-9-22-6-5-17-12)19-2-1-11-10-23-15(20-11)13-8-16-3-4-18-13/h3-4,8,10,12,17H,1-2,5-7,9H2,(H,19,21)
• InChIKey: MCKAALQHZVOBNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(morpholin-3-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide
• Synonyms: 2-(3-morpholinyl)-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.053173
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.8317976
• LogD (pH = 7.4): -1.115229
• Log P: -0.5428561
• Molar Refractivity: 95.355 cm^3
• Polarizability: 34.07367 Å^3
• Polar Surface Area: 89.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.63
• LOG S: -2.4
• Polar Surface Area: 89.03 Å^2
• Rotatable Bonds: 6