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

• ChemBase ID: 477198
• Molecular Formular: C15H14N2OS3
• Molecular Mass: 334.47946
• Monoisotopic Mass: 334.02682608
• SMILES: n1c(scc1CN(C(=O)Cc1sccc1)C)c1sccc1
• Canonical SMILES: O=C(N(Cc1csc(n1)c1cccs1)C)Cc1cccs1
• InChI: InChI=1S/C15H14N2OS3/c1-17(14(18)8-12-4-2-6-19-12)9-11-10-21-15(16-11)13-5-3-7-20-13/h2-7,10H,8-9H2,1H3
• InChIKey: VMHBACYDTOTSTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.430915
• LogD (pH = 7.4): 3.4309406
• Log P: 3.430941
• Molar Refractivity: 97.1614 cm^3
• Polarizability: 33.89615 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.07
• LOG S: -4.26
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5