CAS 861211-44-1

4-(2-Fluorophenyl)-α-[(4-oxo-4H-1-benzopyran-3-yl)methylene]-2-thiazoleacetonitrile

Description:

4-(2-Fluorophenyl)-α-[(4-oxo-4H-1-benzopyran-3-yl)methylene]-2-thiazoleacetonitrile, identified by its CAS number 861211-44-1, is a synthetic organic compound characterized by its complex molecular structure, which includes a thiazole ring, a benzopyran moiety, and a fluorophenyl group. This compound typically exhibits properties such as moderate to high lipophilicity due to the presence of aromatic systems, which can influence its solubility and bioavailability. The thiazole and benzopyran components may contribute to potential biological activities, making it of interest in medicinal chemistry. The presence of the fluorine atom can enhance the compound's metabolic stability and alter its electronic properties, potentially affecting its interaction with biological targets. Additionally, the nitrile functional group may impart unique reactivity, making it a versatile intermediate in organic synthesis. Overall, this compound's structural features suggest potential applications in pharmaceuticals, particularly in the development of novel therapeutic agents.

Formula: C₂₁H₁₁FN₂O₂S

InChI: InChI=1S/C21H11FN2O2S/c22-17-7-3-1-5-15(17)18-12-27-21(24-18)13(10-23)9-14-11-26-19-8-4-2-6-16(19)20(14)25/h1-9,11-12H

InChI key: InChIKey=CBZACEFTBMZOLB-UHFFFAOYSA-N

SMILES: O=C1C=2C(OC=C1C=C(C#N)C3=NC(=CS3)C4=C(F)C=CC=C4)=CC=CC2

Synonyms:

• 2-Thiazoleacetonitrile, 4-(2-fluorophenyl)-α-[(4-oxo-4H-1-benzopyran-3-yl)methylene]-
• 4-(2-Fluorophenyl)-α-[(4-oxo-4H-1-benzopyran-3-yl)methylene]-2-thiazoleacetonitrile
• 2-[4-(2-FLUOROPHENYL)-1,3-THIAZOL-2-YL]-3-(4-OXO-4H-CHROMEN-3-YL)ACRYLONITRILE