2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase ID: 848812
• Molecular Formular: C17H21N3O2S2
• Molecular Mass: 363.49754
• Monoisotopic Mass: 363.10751893
• SMILES: c12=NCCn1c(CC(=O)N(Cc1cscc1)CC1OCCC1)cs2
• Canonical SMILES: O=C(N(Cc1cscc1)CC1CCCO1)Cc1csc2=NCCn12
• InChI: InChI=1S/C17H21N3O2S2/c21-16(8-14-12-24-17-18-4-5-20(14)17)19(9-13-3-7-23-11-13)10-15-2-1-6-22-15/h3,7,11-12,15H,1-2,4-6,8-10H2
• InChIKey: SMZSIAJKAVNMSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8817182
• LogD (pH = 7.4): 1.4962966
• Log P: 1.5141392
• Molar Refractivity: 98.6542 cm^3
• Polarizability: 37.37305 Å^3
• Polar Surface Area: 45.14 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: 2.31
• LOG S: -3.83
• Polar Surface Area: 45.14 Å^2
• Rotatable Bonds: 6