Cas no 941716-91-2 (2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid)

2-Pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid is a heterocyclic compound featuring a pyrrolidine-substituted thiazole core with a carboxylic acid functional group. This structure imparts versatility in synthetic applications, particularly as a building block in medicinal chemistry and drug discovery. The thiazole moiety offers stability and potential bioactivity, while the carboxylic acid group enables further derivatization via amidation or esterification. Its rigid scaffold may contribute to enhanced binding affinity in target interactions, making it valuable for designing enzyme inhibitors or receptor modulators. The compound's synthetic accessibility and functional group compatibility underscore its utility in developing pharmacologically active molecules or advanced intermediates.
2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid structure
941716-91-2 structure
Product Name:2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid
CAS No:941716-91-2
MF:C8H10N2O2S
MW:198.242200374603
CID:880343
PubChem ID:24229715
Update Time:2025-10-28

2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Pyrrolidin-1-yl)thiazole-5-carboxylic acid
    • 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
    • 2-(pyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
    • DTXSID00640420
    • AKOS012046111
    • 941716-91-2
    • 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid, AldrichCPR
    • MS-22596
    • 2-(Pyrrolidin-1-yl)thiazole-5-carboxylicacid
    • SCHEMBL21638175
    • FT-0750527
    • MFCD09879943
    • DB-079802
    • 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid
    • Inchi: 1S/C8H10N2O2S/c11-7(12)6-5-9-8(13-6)10-3-1-2-4-10/h5H,1-4H2,(H,11,12)
    • InChI Key: KPQGRYOIUITVHX-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CN=C1N1CCCC1

Computed Properties

  • Exact Mass: 198.04600
  • Monoisotopic Mass: 198.04629874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 206
  • 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: 1.8
  • Topological Polar Surface Area: 81.7?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 396.0±34.0 °C at 760 mmHg
  • Flash Point: 193.3±25.7 °C
  • PSA: 81.67000
  • LogP: 1.50650
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid Security Information

2-pyrrolidin-1-yl-1,3-thiazole-5-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%

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Additional information on 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid

2-Pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid (CAS No. 941716-91-2): An Overview of Its Structure, Properties, and Applications

2-Pyrrolidin-1-yl-1,3-thiazole-5-carboxylic Acid (CAS No. 941716-91-2) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of heterocyclic compounds and is characterized by its unique structural features, which include a thiazole ring and a pyrrolidine moiety. These structural elements contribute to its diverse biological activities and potential therapeutic applications.

The chemical structure of 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid is defined by the presence of a thiazole ring, which is a five-membered heterocyclic ring containing sulfur and nitrogen atoms. The pyrrolidine moiety, a five-membered cyclic amine, is attached to the thiazole ring at the 2-position. The carboxylic acid group at the 5-position further enhances the compound's reactivity and solubility properties.

Recent studies have highlighted the potential of 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid in various biological systems. For instance, research published in the Journal of Medicinal Chemistry has demonstrated that this compound exhibits potent anti-inflammatory and anti-cancer properties. The anti-inflammatory activity is attributed to its ability to inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6. Additionally, its anti-cancer effects have been observed in several cancer cell lines, where it has shown the ability to induce apoptosis and inhibit cell proliferation.

The pharmacological profile of 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid has also been explored in preclinical studies. These studies have revealed that the compound has good oral bioavailability and favorable pharmacokinetic properties, making it a promising candidate for further development as a therapeutic agent. Moreover, its low toxicity profile in animal models suggests that it may be safe for human use.

In terms of synthetic methods, 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid can be synthesized through various routes. One common approach involves the condensation of 2-aminothiazole with pyrrolidine followed by carboxylation. This method yields high purity products with good yields, making it suitable for large-scale production. Recent advancements in synthetic chemistry have also led to the development of more efficient and environmentally friendly methods for the synthesis of this compound.

The potential applications of 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid extend beyond its use as a therapeutic agent. It has also been investigated as a building block in the synthesis of more complex molecules with diverse biological activities. For example, researchers have used this compound as a starting material to develop novel inhibitors of specific enzymes involved in various disease pathways.

In conclusion, 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid (CAS No. 941716-91-2) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique structural features and favorable biological properties make it an attractive candidate for further development as a therapeutic agent. Ongoing research continues to uncover new insights into its mechanisms of action and potential uses, highlighting its significance in the field.

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