Cas no 168618-63-1 (Methyl 3-Thiazol-2-yl-benzoate)

Methyl 3-Thiazol-2-yl-benzoate structure
168618-63-1 structure
Product Name:Methyl 3-Thiazol-2-yl-benzoate
CAS No:168618-63-1
MF:C11H9NO2S
MW:219.259661436081
MDL:MFCD08275676
CID:136312
PubChem ID:18945333
Update Time:2025-07-24

Methyl 3-Thiazol-2-yl-benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(thiazol-2-yl)benzoate
    • Benzoicacid, 3-(2-thiazolyl)-, methyl ester
    • methyl 3-(1,3-thiazol-2-yl)benzoate
    • METHYL 3-THIAZOL-2-YL-BENZOATE
    • FS-3104
    • Benzoicacid,3-(2-thiazolyl)-,methyl ester
    • DTXSID80596734
    • CS-0187483
    • A882162
    • SCHEMBL3741524
    • MFCD08275676
    • FT-0718334
    • YXIVASOYIRWGFB-UHFFFAOYSA-N
    • 168618-63-1
    • AKOS015856742
    • Benzoic acid, 3-(2-thiazolyl)-, methyl ester
    • DB-001857
    • METHYL3-THIAZOL-2-YL-BENZOATE
    • Methyl 3-Thiazol-2-yl-benzoate
    • MDL: MFCD08275676
    • Inchi: 1S/C11H9NO2S/c1-14-11(13)9-4-2-3-8(7-9)10-12-5-6-15-10/h2-7H,1H3
    • InChI Key: YXIVASOYIRWGFB-UHFFFAOYSA-N
    • SMILES: S1C=CN=C1C1=CC=CC(C(=O)OC)=C1

Computed Properties

  • Exact Mass: 219.03500
  • Monoisotopic Mass: 219.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 235
  • 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: 2.5
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • PSA: 67.43000
  • LogP: 2.59670

Methyl 3-Thiazol-2-yl-benzoate Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on Methyl 3-Thiazol-2-yl-benzoate

Recent Advances in the Study of Methyl 3-Thiazol-2-yl-benzoate (CAS: 168618-63-1) and Its Applications in Chemical Biology and Medicine

Methyl 3-Thiazol-2-yl-benzoate (CAS: 168618-63-1) is a chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its thiazole and benzoate functional groups, has been explored for its role in drug discovery, particularly in the development of novel therapeutic agents. Recent studies have highlighted its utility as a building block in the synthesis of biologically active molecules, including kinase inhibitors and antimicrobial agents.

One of the key areas of research involving Methyl 3-Thiazol-2-yl-benzoate is its application in the design of kinase inhibitors. Kinases play a critical role in cellular signaling pathways, and their dysregulation is often associated with diseases such as cancer and inflammatory disorders. Recent publications have demonstrated that derivatives of Methyl 3-Thiazol-2-yl-benzoate exhibit potent inhibitory activity against specific kinases, making them promising candidates for further drug development. For instance, a 2023 study published in the Journal of Medicinal Chemistry reported the synthesis and evaluation of a series of thiazole-containing compounds, including Methyl 3-Thiazol-2-yl-benzoate derivatives, which showed selective inhibition of certain cancer-related kinases.

In addition to its role in kinase inhibition, Methyl 3-Thiazol-2-yl-benzoate has also been investigated for its antimicrobial properties. A recent study in the European Journal of Medicinal Chemistry (2024) explored the compound's efficacy against a range of bacterial and fungal pathogens. The researchers synthesized several analogs of Methyl 3-Thiazol-2-yl-benzoate and evaluated their antimicrobial activity, revealing that certain derivatives exhibited broad-spectrum activity with minimal cytotoxicity. These findings suggest that this compound could serve as a valuable scaffold for the development of new antimicrobial agents, particularly in the face of rising antibiotic resistance.

The synthetic versatility of Methyl 3-Thiazol-2-yl-benzoate has also been a focus of recent research. Advances in organic chemistry methodologies have enabled the efficient modification of this compound to produce diverse derivatives with tailored biological activities. For example, a 2024 study in Organic Letters detailed a novel catalytic approach to functionalize the thiazole ring of Methyl 3-Thiazol-2-yl-benzoate, opening new avenues for the creation of structurally complex and pharmacologically relevant molecules. Such innovations underscore the compound's potential as a key intermediate in medicinal chemistry.

Despite these promising developments, challenges remain in the optimization of Methyl 3-Thiazol-2-yl-benzoate-based compounds for clinical use. Issues such as bioavailability, metabolic stability, and off-target effects need to be addressed through further preclinical studies. However, the growing body of research on this compound and its derivatives highlights its significance in the field of chemical biology and drug discovery. Future studies are expected to explore its applications in other therapeutic areas, such as neurodegenerative diseases and metabolic disorders, further expanding its potential impact.

In conclusion, Methyl 3-Thiazol-2-yl-benzoate (CAS: 168618-63-1) represents a versatile and promising compound in the realm of chemical biology and pharmaceutical research. Its applications in kinase inhibition, antimicrobial activity, and synthetic chemistry demonstrate its broad utility and potential for contributing to the development of novel therapeutics. As research continues to uncover new insights into its properties and mechanisms of action, this compound is likely to remain a focal point of scientific investigation in the years to come.

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