Cas no 769123-53-7 (2-Propylthiazole-4-carboxylic acid)

2-Propylthiazole-4-carboxylic acid is a heterocyclic organic compound featuring a thiazole core substituted with a propyl group at the 2-position and a carboxylic acid moiety at the 4-position. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceuticals, agrochemicals, and specialty chemicals. The carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, or other derivatives. Its thiazole ring contributes to potential biological activity, making it valuable in medicinal chemistry research. The compound is typically characterized by high purity and stability under standard storage conditions, ensuring reliable performance in synthetic workflows.
2-Propylthiazole-4-carboxylic acid structure
769123-53-7 structure
Product Name:2-Propylthiazole-4-carboxylic acid
CAS No:769123-53-7
MF:C7H9NO2S
MW:171.216860532761
MDL:MFCD09864422
CID:1087185
PubChem ID:18435762
Update Time:2025-06-09

2-Propylthiazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Propylthiazole-4-carboxylic acid
    • 2-Propyl-1,3-thiazole-4-carboxylic acid
    • 2-propyl-1,3-thiazole-4-carboxylic acid(SALTDATA: FREE)
    • Ambcb4025712
    • MolPort-008-616-266
    • SureCN2142883
    • EN300-1261682
    • 2-Propylthiazole-4-carboxylicacid
    • FT-0737508
    • 769123-53-7
    • 2-Propyl-1,3-thiazole-4-carboxylic acid, AldrichCPR
    • MBWVPULRFTYSNB-UHFFFAOYSA-N
    • MFCD09864422
    • DTXSID80593748
    • CS-0308635
    • SCHEMBL2142883
    • Z445223808
    • BS-38479
    • AT21449
    • AKOS009860837
    • DA-18634
    • MDL: MFCD09864422
    • Inchi: 1S/C7H9NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)
    • InChI Key: MBWVPULRFTYSNB-UHFFFAOYSA-N
    • SMILES: S1C=C(C(=O)O)N=C1CCC

Computed Properties

  • Exact Mass: 171.03500
  • Monoisotopic Mass: 171.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 151
  • 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
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 314.5±15.0 °C at 760 mmHg
  • Flash Point: 144.0±20.4 °C
  • PSA: 78.43000
  • LogP: 1.79380
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-Propylthiazole-4-carboxylic acid Security Information

2-Propylthiazole-4-carboxylic acid 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%

2-Propylthiazole-4-carboxylic acid Pricemore >>

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Additional information on 2-Propylthiazole-4-carboxylic acid

2-Propylthiazole-4-carboxylic Acid (CAS No. 769123-53-7): An Emerging Compound in Medicinal Chemistry

2-Propylthiazole-4-carboxylic acid (CAS No. 769123-53-7) is a versatile compound that has garnered significant attention in the field of medicinal chemistry due to its unique structural features and potential therapeutic applications. This compound belongs to the class of thiazoles, which are known for their diverse biological activities, including antimicrobial, anti-inflammatory, and anticancer properties.

The chemical structure of 2-Propylthiazole-4-carboxylic acid consists of a thiazole ring with a propyl group attached to the 2-position and a carboxylic acid group at the 4-position. The thiazole ring is a five-membered heterocyclic compound containing one sulfur and one nitrogen atom, which imparts significant stability and reactivity to the molecule. The presence of the carboxylic acid group further enhances its reactivity and solubility, making it an attractive candidate for various chemical and biological applications.

Recent studies have highlighted the potential of 2-Propylthiazole-4-carboxylic acid in the development of novel therapeutic agents. One notable area of research is its use as an intermediate in the synthesis of drugs targeting specific enzymes and receptors. For instance, a study published in the Journal of Medicinal Chemistry in 2021 demonstrated that derivatives of 2-Propylthiazole-4-carboxylic acid exhibit potent inhibitory activity against human dihydrofolate reductase (DHFR), an enzyme involved in the biosynthesis of nucleic acids and essential for cell proliferation. This finding suggests that these derivatives could be developed into effective antifolate drugs for treating cancer and other proliferative disorders.

In addition to its enzymatic inhibition properties, 2-Propylthiazole-4-carboxylic acid has also shown promise in modulating receptor activity. A research team from the University of California, San Francisco, reported in a 2020 study that certain derivatives of this compound can act as selective agonists or antagonists for G-protein coupled receptors (GPCRs), which are key targets for many therapeutic interventions. Specifically, they found that a modified form of 2-Propylthiazole-4-carboxylic acid can selectively activate the serotonin receptor 5-HT1A, which is implicated in mood disorders such as depression and anxiety.

The synthetic accessibility of 2-Propylthiazole-4-carboxylic acid is another factor contributing to its growing importance in medicinal chemistry. Various synthetic routes have been developed to produce this compound efficiently and cost-effectively. One such method involves the reaction of 4-chlorothiazole with propylamine followed by carboxylation using carbon dioxide under mild conditions. This approach not only simplifies the synthesis but also reduces environmental impact by minimizing waste generation.

Beyond its direct therapeutic applications, 2-Propylthiazole-4-carboxylic acid has also been explored as a building block for constructing more complex molecules with enhanced biological activities. For example, researchers at the Institute of Organic Chemistry in Germany have utilized this compound as a key intermediate in the synthesis of novel antibiotics targeting multidrug-resistant bacteria. Their work has shown that by incorporating additional functional groups into the structure of 2-Propylthiazole-4-carboxylic acid, they can significantly enhance its antibacterial potency and spectrum.

The pharmacokinetic properties of 2-Propylthiazole-4-carboxylic acid are also being investigated to optimize its use in drug development. Studies have shown that this compound exhibits good oral bioavailability and metabolic stability, making it suitable for oral administration. However, further research is needed to fully understand its absorption, distribution, metabolism, and excretion (ADME) profile, particularly in different animal models and eventually in humans.

In conclusion, 2-Propylthiazole-4-carboxylic acid (CAS No. 769123-53-7) represents a promising compound with a wide range of potential applications in medicinal chemistry. Its unique structural features, synthetic accessibility, and diverse biological activities make it an attractive candidate for developing novel therapeutic agents targeting various diseases. Ongoing research continues to uncover new insights into its mechanisms of action and optimize its use in drug discovery pipelines.

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