Cas no 17142-85-7 (2-ethyl-1,3-benzothiazole-6-carboxylic acid)

2-ethyl-1,3-benzothiazole-6-carboxylic acid structure
17142-85-7 structure
Product Name:2-ethyl-1,3-benzothiazole-6-carboxylic acid
CAS No:17142-85-7
MF:C10H9NO2S
MW:207.248961210251
MDL:MFCD11043024
CID:122130
PubChem ID:19065142
Update Time:2025-07-21

2-ethyl-1,3-benzothiazole-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Benzothiazolecarboxylicacid, 2-ethyl-
    • 2-ethyl-1,3-benzothiazole-6-carboxylic acid
    • 6-Benzothiazolecarboxylicacid,2-ethyl-(8CI,9CI)
    • FT-0714853
    • 2-ethylbenzo[d]thiazole-6-carboxylic acid
    • EN300-235044
    • SCHEMBL6631884
    • 17142-85-7
    • DTXSID80597746
    • AKOS015957527
    • 2-Ethylbenzo[d]thiazole-6-carboxylicacid
    • F9995-0265
    • MDL: MFCD11043024
    • Inchi: 1S/C10H9NO2S/c1-2-9-11-7-4-3-6(10(12)13)5-8(7)14-9/h3-5H,2H2,1H3,(H,12,13)
    • InChI Key: UYVINKDREZDAEG-UHFFFAOYSA-N
    • SMILES: S1C(CC)=NC2C=CC(C(=O)O)=CC1=2

Computed Properties

  • Exact Mass: 207.03539970g/mol
  • Monoisotopic Mass: 207.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 78.4?2

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2-ethyl-1,3-benzothiazole-6-carboxylic acid Related Literature

Additional information on 2-ethyl-1,3-benzothiazole-6-carboxylic acid

Introduction to 2-ethyl-1,3-benzothiazole-6-carboxylic acid (CAS No. 17142-85-7) and Its Emerging Applications in Chemical Biology

2-ethyl-1,3-benzothiazole-6-carboxylic acid, identified by the chemical identifier CAS No. 17142-85-7, is a heterocyclic compound that has garnered significant attention in the field of chemical biology due to its unique structural and pharmacological properties. This compound belongs to the benzothiazole family, a class of molecules known for their broad spectrum of biological activities, including antimicrobial, anti-inflammatory, and anticancer effects. The presence of an ethyl group at the 2-position and a carboxylic acid moiety at the 6-position introduces specific functional characteristics that make this derivative particularly intriguing for medicinal chemistry research.

The benzothiazole core structure is a fused ring system consisting of a benzene ring linked to a thiazole ring, which contains sulfur and nitrogen atoms. This arrangement imparts remarkable stability and reactivity, making benzothiazole derivatives versatile scaffolds for drug discovery. The carboxylic acid functionality in 2-ethyl-1,3-benzothiazole-6-carboxylic acid not only enhances its solubility in polar solvents but also provides a site for further chemical modifications, such as esterification or amidation, which can fine-tune its biological activity.

Recent studies have highlighted the potential of 2-ethyl-1,3-benzothiazole-6-carboxylic acid as a lead compound in the development of novel therapeutic agents. Its ability to interact with biological targets at the molecular level has been explored in several contexts. For instance, research has demonstrated its inhibitory effects on certain enzymes and receptors implicated in metabolic disorders and neurodegenerative diseases. The compound's structural motif is reminiscent of natural products and bioactive molecules, suggesting that it may serve as a valuable starting point for structure-activity relationship (SAR) studies.

In addition to its pharmacological relevance, 2-ethyl-1,3-benzothiazole-6-carboxylic acid has shown promise in material science applications. The benzothiazole ring system is known to contribute to the thermal stability and mechanical strength of polymers when incorporated into their backbones. Consequently, derivatives of this compound have been investigated as potential additives or monomers for high-performance materials used in electronics and coatings.

The synthesis of 2-ethyl-1,3-benzothiazole-6-carboxylic acid typically involves multi-step organic reactions that begin with the formation of the benzothiazole core followed by functionalization at the specified positions. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making this compound more accessible for research purposes. Techniques such as palladium-catalyzed cross-coupling reactions have been particularly useful in constructing the desired carbon-carbon bonds with high precision.

One of the most compelling aspects of studying 2-ethyl-1,3-benzothiazole-6-carboxylic acid is its role as a building block for more complex molecules. By leveraging its reactive sites, chemists can design derivatives with enhanced or tailored biological activities. For example, modifications at the 5-position of the benzene ring have been shown to modulate binding affinity to specific targets. Such fine-tuning is crucial for optimizing drug candidates and improving their therapeutic efficacy.

The growing interest in 2-ethyl-1,3-benzothiazole-6-carboxylic acid is also reflected in the increasing number of patents and publications associated with this compound. Researchers worldwide are exploring its potential applications in various fields, from oncology to infectious diseases. Collaborative efforts between academic institutions and pharmaceutical companies have accelerated the discovery pipeline, leading to several preclinical candidates derived from this scaffold.

The safety profile of 2-ethyl-1,3-benzothiazole-6-carboxylic acid has been evaluated through preliminary toxicological studies conducted in vitro and in vivo. These assessments indicate that the compound exhibits moderate solubility and moderate bioavailability under certain conditions. However, further investigations are warranted to fully characterize its metabolic pathways and potential side effects before clinical translation.

Future directions in research on 2-ethyl-1,3-benzothiazole-6-carboxylic acid may include exploring its interactions with protein targets at higher resolution using techniques such as X-ray crystallography or cryo-electron microscopy. Additionally, computational modeling can help predict how structural modifications will influence biological activity, thereby guiding rational drug design efforts.

The versatility of CAS No. 17142-85-7, specifically 2-ethyl-1,3-benzothiazole-6-carboxylic acid, underscores its importance as a versatile chemical entity with far-reaching implications across multiple disciplines. As our understanding of molecular interactions continues to evolve, this compound is likely to remain at the forefront of innovation in chemical biology and beyond.

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