Cas no 29198-43-4 (1,3-benzothiazole-2-carboxamide)

1,3-Benzothiazole-2-carboxamide is a heterocyclic organic compound featuring a benzothiazole core with a carboxamide functional group at the 2-position. This structure imparts versatility in synthetic and medicinal chemistry, serving as a key intermediate or scaffold in the development of pharmaceuticals, agrochemicals, and functional materials. Its rigid aromatic system and polar carboxamide moiety enhance binding affinity and solubility, making it valuable for designing bioactive molecules. The compound is particularly useful in the synthesis of inhibitors, fluorescent probes, and corrosion inhibitors due to its electron-rich nature and stability under various conditions. Its well-defined reactivity allows for selective modifications, facilitating tailored applications in research and industrial processes.
1,3-benzothiazole-2-carboxamide structure
29198-43-4 structure
Product Name:1,3-benzothiazole-2-carboxamide
CAS No:29198-43-4
MF:C8H6N2OS
MW:178.211040019989
MDL:MFCD03731182
CID:240284
PubChem ID:638561
Update Time:2025-10-31

1,3-benzothiazole-2-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazolecarboxamide
    • 1,3-benzothiazole-2-carboxamide
    • Benzothiazole-2-carboxylic acid amide
    • 2-Carbamoylbenzothiazole
    • 2-carboxamide-benzothiazole
    • 2-carboxamidobenzothiazole
    • Benzothiazol-2-carbamid
    • Benzothiazol-2-yl-amid
    • benzothiazole-2-amide
    • benzothiazole-2-carboxamide
    • benzothiazolecarboxamide
    • F1371-0214
    • benzo[d]thiazole-2-carboxamide
    • carbamoylbenzothiazole
    • LYASTVLDAJIXBL-UHFFFAOYSA-N
    • STL227848
    • AB0167531
    • Y2101
    • ST50204779
    • 2-BENZOTHIAZOLECARBOXAMIDE(6CI,8CI,9CI)
    • 198B434
    • AM20210018
    • CS-0072917
    • AKOS000320213
    • MFCD03731182
    • AS-63966
    • DTXSID20348577
    • AS-871/10251001
    • SCHEMBL369480
    • 29198-43-4
    • EN300-236457
    • 1, 3-benzothiazole-2-carboxamide
    • InChI=1/C8H6N2OS/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H,(H2,9,11
    • DB-346955
    • MDL: MFCD03731182
    • Inchi: 1S/C8H6N2OS/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H,(H2,9,11)
    • InChI Key: LYASTVLDAJIXBL-UHFFFAOYSA-N
    • SMILES: S1C(C(N)=O)=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 178.02000
  • Monoisotopic Mass: 178.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 198
  • 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: 1.5
  • Topological Polar Surface Area: 84.2

Experimental Properties

  • PSA: 84.22000
  • LogP: 2.09550

1,3-benzothiazole-2-carboxamide Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 1,3-benzothiazole-2-carboxamide

Comprehensive Overview of 1,3-Benzothiazole-2-carboxamide (CAS No. 29198-43-4): Properties, Applications, and Industry Insights

1,3-Benzothiazole-2-carboxamide (CAS No. 29198-43-4) is a heterocyclic organic compound featuring a benzothiazole core linked to a carboxamide functional group. This structurally versatile molecule has garnered significant attention in pharmaceutical, agrochemical, and material science research due to its unique physicochemical properties and broad applicability. The compound's molecular formula, C8H6N2OS, reflects its balanced polarity and hydrogen-bonding capacity, making it valuable for drug discovery and molecular design.

Recent studies highlight the growing demand for benzothiazole derivatives in anticancer agent development, with researchers exploring 1,3-benzothiazole-2-carboxamide's potential as a kinase inhibitor scaffold. Its ability to modulate protein-protein interactions aligns with current trends in targeted therapy and precision medicine. The compound's bioisosteric properties allow it to mimic natural metabolites, addressing frequent search queries about "heterocyclic replacements in lead optimization" and "scaffold hopping strategies."

In material science, CAS 29198-43-4 serves as a precursor for fluorescent probes and organic semiconductors, responding to industry demands for energy-efficient materials. Its π-conjugated system enables applications in OLED technology and sensor development, topics frequently searched in conjunction with "small molecule optoelectronics." Analytical characterization via HPLC, NMR, and mass spectrometry confirms its high purity (>98%), a critical parameter for researchers investigating "structure-activity relationships."

Synthetic methodologies for 1,3-benzothiazole-2-carboxamide continue to evolve, with recent literature emphasizing green chemistry approaches. Microwave-assisted synthesis and catalytic cyclization techniques address environmental concerns while improving yield—topics trending in "sustainable organic synthesis" discussions. The compound's stability under physiological conditions makes it particularly relevant for prodrug design studies, another frequently searched area in medicinal chemistry forums.

From a commercial perspective, global suppliers list 29198-43-4 with varying technical specifications tailored to R&D versus bulk production needs. Market analyses indicate growing procurement queries for "custom benzothiazole derivatives" and "scalable synthesis protocols," reflecting the compound's expanding industrial footprint. Regulatory databases confirm its compliance with major chemical inventories (TSCA, EINECS), ensuring global procurement feasibility.

Emerging applications in corrosion inhibition and polymer stabilization further demonstrate the compound's versatility. Researchers investigating "metal surface protection" frequently cite its chelating capacity, while its radical-scavenging properties interest teams working on "advanced material durability." These multidisciplinary applications position 1,3-benzothiazole-2-carboxamide as a compound of continuing scientific and industrial relevance.

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