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

• ChemBase ID: 715500
• Molecular Formular: C15H19N3O2S2
• Molecular Mass: 337.46026
• Monoisotopic Mass: 337.09186886
• SMILES: n1c(scc1CN(C(=O)CC1OCCNC1)C)c1sccc1
• Canonical SMILES: O=C(N(Cc1csc(n1)c1cccs1)C)CC1CNCCO1
• InChI: InChI=1S/C15H19N3O2S2/c1-18(14(19)7-12-8-16-4-5-20-12)9-11-10-22-15(17-11)13-3-2-6-21-13/h2-3,6,10,12,16H,4-5,7-9H2,1H3
• InChIKey: USULVIFCYKEARF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4962729
• LogD (pH = 7.4): 0.19258238
• Log P: 1.2704498
• Molar Refractivity: 97.128 cm^3
• Polarizability: 34.515564 Å^3
• Polar Surface Area: 54.46 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: 0.55
• LOG S: -2.13
• Polar Surface Area: 54.46 Å^2