Cas no 31061-15-1 (4-Thiazoleacetic acid, 2-(methylamino)-)

4-Thiazoleacetic acid, 2-(methylamino)- is a thiazole derivative characterized by its acetic acid and methylamino functional groups. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as a building block for more complex molecules. The thiazole core provides a heterocyclic scaffold that can enhance binding affinity in bioactive compounds, while the methylamino and carboxylic acid moieties offer sites for further functionalization. Its structural features make it suitable for applications in medicinal chemistry, particularly in the development of analogs with tailored properties. The compound is typically handled under standard laboratory conditions, requiring appropriate safety measures due to its reactivity.
4-Thiazoleacetic acid, 2-(methylamino)- structure
31061-15-1 structure
Product Name:4-Thiazoleacetic acid, 2-(methylamino)-
CAS No:31061-15-1
MF:C6H8N2O2S
MW:172.204919815063
MDL:MFCD12783727
CID:1448757
PubChem ID:15752373
Update Time:2025-08-05

4-Thiazoleacetic acid, 2-(methylamino)- Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazoleacetic acid, 2-(methylamino)-
    • 31061-15-1
    • EN300-77458
    • 2-(methylaminothiazol-4-yl)acetic acid
    • 2-[2-(methylamino)-1,3-thiazol-4-yl]acetic acid
    • AKOS009110635
    • MDL: MFCD12783727
    • Inchi: 1S/C6H8N2O2S/c1-7-6-8-4(3-11-6)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
    • InChI Key: BGCUSCCYXNBOKJ-UHFFFAOYSA-N
    • SMILES: S1C=C(CC(=O)O)N=C1NC

Computed Properties

  • Exact Mass: 172.03074
  • Monoisotopic Mass: 172.03064868g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 154
  • 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: 0.8
  • Topological Polar Surface Area: 90.5?2

Experimental Properties

  • PSA: 62.22

4-Thiazoleacetic acid, 2-(methylamino)- Pricemore >>

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Additional information on 4-Thiazoleacetic acid, 2-(methylamino)-

Comprehensive Analysis of 4-Thiazoleacetic acid, 2-(methylamino)- (CAS No. 31061-15-1): Properties, Applications, and Research Insights

4-Thiazoleacetic acid, 2-(methylamino)- (CAS No. 31061-15-1) is a specialized organic compound belonging to the thiazole family, a heterocyclic structure known for its diverse biological and chemical applications. This compound features a thiazole ring substituted with an acetic acid moiety and a methylamino group, making it a versatile intermediate in pharmaceutical and agrochemical research. Its unique molecular architecture has garnered significant attention in recent years, particularly in the context of drug discovery and material science.

One of the most frequently asked questions about 4-Thiazoleacetic acid, 2-(methylamino)- revolves around its synthetic pathways. Researchers often explore its preparation through condensation reactions involving thiazole derivatives and methylamine, followed by carboxylation. The compound’s solubility in polar solvents like water and ethanol, along with its melting point and stability, are also critical parameters for industrial applications. These properties make it a candidate for bioconjugation and catalyst design, aligning with the growing demand for sustainable chemistry solutions.

In the pharmaceutical sector, 4-Thiazoleacetic acid, 2-(methylamino)- has been investigated for its potential role in enzyme inhibition and receptor modulation. Recent studies highlight its relevance in targeting inflammatory pathways, a hot topic due to the rising prevalence of chronic diseases. Its thiazole core is structurally analogous to bioactive molecules found in FDA-approved drugs, sparking interest in its structure-activity relationships (SAR). This aligns with the surge in searches for “thiazole-based therapeutics” and “small molecule drug design” across academic and industry platforms.

Another trending application of 4-Thiazoleacetic acid, 2-(methylamino)- lies in agrochemical innovation. With the global push toward sustainable agriculture, researchers are exploring its derivatives as potential plant growth regulators or pesticide synergists. The compound’s ability to interact with biological membranes and metabolic enzymes in plants makes it a subject of interest for crop protection strategies. This resonates with the increasing online queries about “eco-friendly agrochemicals” and “thiazole in agriculture”.

From a material science perspective, 4-Thiazoleacetic acid, 2-(methylamino)- contributes to the development of functional polymers and coordination complexes. Its chelating properties enable the formation of metal-organic frameworks (MOFs), a field gaining traction due to applications in gas storage and catalysis. The compound’s electronic properties are also being studied for organic semiconductors, addressing the demand for flexible electronics—a topic frequently searched in conjunction with “thiazole derivatives”.

Quality control and analytical methods for 4-Thiazoleacetic acid, 2-(methylamino)- are another area of focus. Techniques like HPLC, NMR, and mass spectrometry are commonly employed to ensure purity and characterize its isomeric forms. This ties into the broader discussion on “analytical validation” and “compound characterization”, which dominate scientific forums and search engines.

In summary, 4-Thiazoleacetic acid, 2-(methylamino)- (CAS No. 31061-15-1) is a multifaceted compound with expanding relevance in pharmaceuticals, agriculture, and advanced materials. Its thiazole backbone and functional groups offer a rich platform for innovation, addressing contemporary challenges in healthcare and sustainability. As research progresses, this compound is poised to play a pivotal role in next-generation scientific breakthroughs.

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