Cas no 89124-90-3 (5-Ethoxy-1,2,4-thiadiazol-3-amine)

5-Ethoxy-1,2,4-thiadiazol-3-amine is a versatile organic compound characterized by its thiadiazole ring. This compound exhibits notable reactivity, making it suitable for various synthetic applications. Its unique structure and functional group provide excellent compatibility with a wide range of organic reactions, offering a robust platform for the development of novel compounds.
5-Ethoxy-1,2,4-thiadiazol-3-amine structure
89124-90-3 structure
Product Name:5-Ethoxy-1,2,4-thiadiazol-3-amine
CAS No:89124-90-3
MF:C4H7N3OS
MW:145.182878732681
CID:720323
PubChem ID:2761302
Update Time:2025-07-15

5-Ethoxy-1,2,4-thiadiazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 5-Ethoxy-1,2,4-thiadiazol-3-amine
    • 1,2,4-Thiadiazol-3-amine,5-ethoxy-
    • 3-AMINO-5-ETHOXY-1,2,4-THIADIAZOLE
    • 1,2,4-Thiadiazol-3-amine,5-ethoxy
    • 3-Amino-5-aethoxy-1.2.4-thiadiazol
    • 5-ethoxy-[1,2,4]thiadiazol-3-ylamine
    • 1,2,4-Thiadiazol-3-amine, 5-ethoxy-
    • FS-6543
    • 89124-90-3
    • CS-0330519
    • MFCD06658062
    • AT11907
    • DB-022237
    • DTXSID10375690
    • AKOS006294601
    • AI-067/31570063
    • MDL: MFCD06658062
    • Inchi: 1S/C4H7N3OS/c1-2-8-4-6-3(5)7-9-4/h2H2,1H3,(H2,5,7)
    • InChI Key: IXAWHRSYSKUNOL-UHFFFAOYSA-N
    • SMILES: S1C(OCC)=NC(N)=N1

Computed Properties

  • Exact Mass: 145.03100
  • Monoisotopic Mass: 145.031
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 91.9
  • 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: 1.1
  • Topological Polar Surface Area: 89.3?2

Experimental Properties

  • Density: 1.342
  • Melting Point: 131-132 °C(Solv: water (7732-18-5))
  • Boiling Point: 263.3°C at 760 mmHg
  • Flash Point: 113°C
  • Refractive Index: 1.587
  • PSA: 89.27000
  • LogP: 1.10020
  • pka: 2.73±0.11(Predicted)

5-Ethoxy-1,2,4-thiadiazol-3-amine Security Information

  • Storage Condition:2-8°C

5-Ethoxy-1,2,4-thiadiazol-3-amine 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 5-Ethoxy-1,2,4-thiadiazol-3-amine

Introduction to 5-Ethoxy-1,2,4-thiadiazol-3-amine (CAS No. 89124-90-3) and Its Emerging Applications in Chemical Biology

5-Ethoxy-1,2,4-thiadiazol-3-amine, identified by the Chemical Abstracts Service registry number 89124-90-3, is a heterocyclic compound that has garnered significant attention in the field of chemical biology due to its unique structural properties and potential biological activities. This compound belongs to the thiadiazole class, a scaffold that has been extensively studied for its pharmacological relevance. The presence of an ethoxy group at the 5-position and an amine functional group at the 3-position introduces specific electronic and steric characteristics that make this molecule a promising candidate for further investigation.

The thiadiazole core is known for its versatility in medicinal chemistry, often serving as a key structural motif in drugs targeting various therapeutic areas, including antimicrobial, anti-inflammatory, and anticancer applications. The incorporation of the ethoxy substituent enhances the compound's solubility and metabolic stability, while the amine group provides a site for further chemical modification, enabling the synthesis of derivatives with tailored biological properties. These features have positioned 5-Ethoxy-1,2,4-thiadiazol-3-amine as a valuable building block for drug discovery initiatives.

Recent advancements in computational chemistry and high-throughput screening have facilitated the exploration of thiadiazole derivatives like 5-Ethoxy-1,2,4-thiadiazol-3-amine. Studies have demonstrated that modifications within the thiadiazole ring can significantly influence binding affinity to biological targets. For instance, computational modeling has revealed that the ethoxy group at position 5 interacts favorably with hydrophobic pockets in protein active sites, potentially enhancing drug-like properties. Such insights have guided the design of novel analogs with improved efficacy and reduced toxicity.

In parallel, experimental investigations have highlighted the biological significance of 5-Ethoxy-1,2,4-thiadiazol-3-amine. Preclinical studies indicate that this compound exhibits inhibitory effects on certain kinases and transcription factors implicated in cancer progression. The amine functionality at position 3 has been particularly noted for its ability to modulate enzyme activity through hydrogen bonding interactions. Additionally, the ethoxy substituent appears to contribute to favorable pharmacokinetic profiles by influencing membrane permeability and metabolic clearance rates.

The growing interest in thiadiazole derivatives has also spurred research into their potential applications beyond traditional pharmaceuticals. For example, recent work has explored the use of compounds like 5-Ethoxy-1,2,4-thiadiazol-3-amine in agrochemical formulations due to their demonstrated efficacy against plant pathogens. The structural robustness of thiadiazoles allows them to interact with biological membranes in plants, disrupting pathogen growth while maintaining host cell integrity. This dual specificity makes them attractive candidates for developing environmentally sustainable crop protection agents.

From a synthetic chemistry perspective, 5-Ethoxy-1,2,4-thiadiazol-3-amine serves as a versatile intermediate for constructing more complex molecules. Its reactive sites allow for further functionalization via nucleophilic substitution or condensation reactions, enabling the creation of libraries of derivatives for high-throughput screening. Advances in synthetic methodologies have also enabled the preparation of enantiomerically pure forms of this compound, which is critical for evaluating stereochemical influences on biological activity.

The integration of experimental data with computational modeling has been instrumental in elucidating the mechanism of action for 5-Ethoxy-1,2,4-thiadiazol-3-amine. X-ray crystallography studies have provided detailed insights into how this compound binds to target proteins at an atomic level. These structural determinations have informed rational drug design strategies aimed at optimizing binding affinity and selectivity. Furthermore, bioinformatics analyses have identified potential off-target effects that must be considered during further development.

As research progresses, the therapeutic potential of 5-Ethoxy-1,2,4-thiadiazol-3-amine continues to expand beyond initial hypotheses. Emerging evidence suggests that this compound may play a role in modulating immune responses through interactions with intracellular signaling pathways. Such findings align with broader trends in immunopharmacology where thiadiazole derivatives are being repurposed for treating autoimmune disorders and infectious diseases.

The synthesis and characterization of novel analogs remain a focal point for academic and industrial researchers alike. Collaborative efforts between chemists and biologists are yielding innovative approaches to harnessing the full potential of thiadiazole-based compounds like 5-Ethoxy-1,2,4-thiadiazol-3-amine. These interdisciplinary studies highlight how structural modifications can fine-tune biological activity while maintaining favorable pharmacokinetic properties.

In conclusion,5-Ethoxy-1,2,4-thiadiazol-3-aminedemonstrates significant promise as a lead compound or intermediate in chemical biology applications. Its unique structural features combined with emerging biological data position it as a valuable asset for drug discovery initiatives across multiple therapeutic domains. As research methodologies continue to evolve,89124-90* will undoubtedly remain at forefrontof medicinal chemistry innovation.

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