N-benzyl-N-(oxolan-2-ylmethyl)-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 535073
• Molecular Formular: C20H20N2O2S2
• Molecular Mass: 384.515
• Monoisotopic Mass: 384.09661989
• SMILES: c1(nc(sc1)c1sccc1)C(=O)N(Cc1ccccc1)CC1OCCC1
• Canonical SMILES: O=C(c1csc(n1)c1cccs1)N(Cc1ccccc1)CC1CCCO1
• InChI: InChI=1S/C20H20N2O2S2/c23-20(17-14-26-19(21-17)18-9-5-11-25-18)22(13-16-8-4-10-24-16)12-15-6-2-1-3-7-15/h1-3,5-7,9,11,14,16H,4,8,10,12-13H2
• InChIKey: DLESQQXLVMRTQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(oxolan-2-ylmethyl)-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-benzyl-N-(oxolan-2-ylmethyl)-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• Synonyms: N-benzyl-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.260862
• LogD (pH = 7.4): 4.260862
• Log P: 4.260862
• Molar Refractivity: 114.625 cm^3
• Polarizability: 40.512722 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.9
• LOG S: -4.48
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6