CAS 860787-40-2

3-[1-[(2-Chloro-5-thiazolyl)methyl]-1H-indol-3-yl]-2-(methylsulfonyl)-2-propenenitrile

Description:

3-[1-[(2-Chloro-5-thiazolyl)methyl]-1H-indol-3-yl]-2-(methylsulfonyl)-2-propenenitrile, with the CAS number 860787-40-2, is a synthetic organic compound characterized by its complex structure, which includes an indole moiety, a thiazole ring, and a propenenitrile functional group. This compound typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity, making it of interest in pharmaceutical research. The presence of the thiazole and indole rings suggests possible interactions with biological targets, potentially influencing cellular pathways. Additionally, the methylsulfonyl group may enhance its pharmacokinetic properties, such as solubility and metabolic stability. The chlorine atom in the thiazole ring can also affect the compound's reactivity and biological activity. Overall, this compound's unique structural features contribute to its potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. However, specific characteristics such as melting point, boiling point, and spectral data would require empirical measurement or literature reference for precise values.

Formula: C₁₆H₁₂ClN₃O₂S₂

InChI: InChI=1S/C16H12ClN3O2S2/c1-24(21,22)13(7-18)6-11-9-20(10-12-8-19-16(17)23-12)15-5-3-2-4-14(11)15/h2-6,8-9H,10H2,1H3

InChI key: InChIKey=OOXUOGPUMKTUME-UHFFFAOYSA-N

SMILES: C(=C(S(C)(=O)=O)C#N)C=1C=2C(N(CC3=CN=C(Cl)S3)C1)=CC=CC2

Synonyms:

• 2-Propenenitrile, 3-[1-[(2-chloro-5-thiazolyl)methyl]-1H-indol-3-yl]-2-(methylsulfonyl)-
• 3-[1-[(2-Chloro-5-thiazolyl)methyl]-1H-indol-3-yl]-2-(methylsulfonyl)-2-propenenitrile