Cas no 154404-97-4 (N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide)

N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is a heterocyclic compound featuring a benzothiazole core fused with a tetrahydroketone moiety and an acetamide substituent. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its rigid bicyclic framework enhances stability, while the ketone and acetamide functional groups offer versatile sites for further derivatization. The compound is particularly useful in the development of bioactive molecules, including potential enzyme inhibitors or receptor modulators. High purity and well-defined synthetic pathways ensure reproducibility for research applications. Its balanced lipophilicity and polarity also contribute to favorable solubility profiles in common organic solvents.
N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide structure
154404-97-4 structure
Product Name:N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CAS No:154404-97-4
MF:C9H10N2O2S
MW:210.252900600433
MDL:MFCD00460520
CID:1328515
PubChem ID:597793
Update Time:2025-05-20

N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide Chemical and Physical Properties

Names and Identifiers

    • Acetamide, N-(4,5,6,7-tetrahydro-7-oxo-2-benzothiazolyl)-
    • N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
    • N-[(4,5,6,7-tetrahydro-7-oxo)benzothiazol-2-yl]acetamide
    • N-(7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)acetamide
    • N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
    • F1791-0285
    • N-(7-Oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
    • AMY27635
    • STK387456
    • InChI=1/C9H10N2O2S/c1-5(12)10-9-11-6-3-2-4-7(13)8(6)14-9/h2-4H2,1H3,(H,10,11,12
    • BIM-0027658.P001
    • Oprea1_304852
    • WL-309890
    • SR-01000395836-1
    • SCHEMBL172155
    • 154404-97-4
    • SR-01000395836
    • Cambridge id 5674030
    • DTXSID40344551
    • AKOS001587980
    • AB00092941-01
    • 2-acetylamino-4,5,6,7-tetrahydrobenzothiazol-7-one
    • N-(7-Oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide #
    • CBMicro_027540
    • 2-Acetylamino-4,5,6,7-tetrahydrobenzothiazole-7-one
    • MDL: MFCD00460520
    • Inchi: 1S/C9H10N2O2S/c1-5(12)10-9-11-6-3-2-4-7(13)8(6)14-9/h2-4H2,1H3,(H,10,11,12)
    • InChI Key: VXXUKWLHWFFUNS-UHFFFAOYSA-N
    • SMILES: S1C(NC(C)=O)=NC2=C1C(CCC2)=O

Computed Properties

  • Exact Mass: 210.0464
  • Monoisotopic Mass: 210.04629874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 270
  • 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: 0.9
  • Topological Polar Surface Area: 87.3?2

Experimental Properties

  • PSA: 59.06

N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide Pricemore >>

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Additional information on N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Introduction to N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CAS No. 154404-97-4)

N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is a significant compound in the field of pharmaceutical chemistry, characterized by its intricate molecular structure and diverse potential applications. This compound, identified by the CAS number 154404-97-4, has garnered attention due to its structural uniqueness and its role in the development of novel therapeutic agents.

The molecular framework of N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide consists of a benzothiazole core, which is a well-known pharmacophore in medicinal chemistry. The benzothiazole scaffold is particularly valued for its ability to interact with biological targets such as enzymes and receptors, making it a versatile component in drug design. The presence of the 7-oxo group and the tetrahydro ring system further enhances its pharmacological potential by influencing its solubility, bioavailability, and metabolic stability.

In recent years, there has been a surge in research focused on developing new derivatives of benzothiazole-based compounds due to their demonstrated efficacy in various therapeutic areas. N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has been investigated for its potential role in combating infectious diseases, inflammation, and even certain types of cancer. Its ability to modulate biological pathways makes it a promising candidate for further exploration.

One of the most intriguing aspects of this compound is its mechanism of action. Studies have suggested that N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide may exert its effects by inhibiting specific enzymes or by interacting with cellular receptors. For instance, preliminary research indicates that it could potentially interfere with the activity of enzymes involved in inflammation or cell proliferation. This mechanism aligns with the broader goal of developing small-molecule inhibitors that can selectively target disease-causing pathways without causing significant side effects.

The synthesis of N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is another area of active interest. The process involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advances in synthetic methodologies have enabled chemists to optimize these reactions, making it more feasible to produce this compound on a larger scale. This progress is crucial for both academic research and industrial applications.

In the context of drug discovery pipelines, N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide serves as a valuable building block for more complex molecules. By modifying its structure or combining it with other pharmacophores, researchers can generate novel compounds with enhanced therapeutic properties. This modular approach to drug design is particularly effective in addressing multifaceted diseases that require a combination of different mechanisms to achieve optimal treatment outcomes.

The pharmacokinetic profile of N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is also a critical consideration in its development as a drug candidate. Factors such as absorption rate (oral bioavailability), distribution within the body (tissue binding), metabolism (by which enzymes break it down), and excretion (how it leaves the body) all play significant roles in determining its efficacy and safety. Computational modeling and experimental studies are employed to predict and verify these properties before moving into clinical trials.

Ethical considerations are paramount when evaluating any new pharmaceutical compound like N-(7-octanolactam). Ensuring that research is conducted responsibly involves adhering to strict regulatory guidelines and maintaining transparency throughout the development process. Collaborative efforts between academia and industry are essential to foster innovation while upholding ethical standards.

The future prospects for N-(7-octanolactam) are promising given its unique structural features and potential therapeutic applications. Ongoing research aims to elucidate its full spectrum of biological activities and explore new synthetic routes that could improve its production efficiency. As our understanding of disease mechanisms evolves through technological advancements such as genomics and proteomics.

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