Description

1,2,4-Thiadiazole-3-acetic acid, 5-[(ethoxycarbonyl)amino]-, methyl ester (CAS No. 150215-07-9) is a high-purity heterocyclic compound with the molecular formula C₈H₁₁N₃O₄S. This specialized chemical features a 1,2,4-thiadiazole core functionalized with an ethoxycarbonylamino group and a methyl ester-acetic acid side chain, making it a valuable intermediate for pharmaceutical and agrochemical research. With a molecular weight of 245.26 g/mol, it is supplied as a crystalline solid with ≥95% purity (HPLC). Ideal for medicinal chemistry, this compound is rigorously tested for consistency and stability, ensuring reliable performance in synthetic applications. Store in a cool, dry place under inert conditions to maintain integrity.

Properties

• CAS Number: 150215-07-9
• Complexity: 264
• IUPAC Name: methyl 2-[5-(ethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
• InChI: InChI=1S/C8H11N3O4S/c1-3-15-8(13)10-7-9-5(11-16-7)4-6(12)14-2/h3-4H2,1-2H3,(H,9,10,11,13)
• InChI Key: WRUIUWMHBQJODA-UHFFFAOYSA-N
• Exact Mass: 245.04702701
• Molecular Formula: C8H11N3O4S
• Molecular Weight: 245.26
• SMILES: CCOC(=O)NC1=NC(=NS1)CC(=O)OC
• Topological: 119
• Monoisotopic Mass: 245.04702701
• Synonyms: 1,2,4-Thiadiazole-3-acetic acid, 5-[(ethoxycarbonyl)amino]-, methyl ester, 1,2,4-Thiadiazole-3-acetic acid, 5-((ethoxycarbonyl)amino)-, methyl ester, 604-728-5, 150215-07-9, Methyl 2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetate, methyl 2-[5-(ethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate, methyl 2-(5-ethoxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate, WRUIUWMHBQJODA-UHFFFAOYSA-N, SCHEMBL6761097, DTXSID90627841, Methyl2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetate, 5-[(Ethoxycarbonyl)amino]-1,2,4-thiadiazole-3-acetic acid methyl ester, Methyl-2-(5-ethoxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate, Methyl {5-[(ethoxycarbonyl)amino]-1,2,4-thiadiazol-3-yl}acetate

Application

This compound serves as a key synthetic intermediate in the development of novel thiadiazole-based pharmaceuticals, particularly for antimicrobial and anti-inflammatory agents. Researchers utilize it in heterocyclic chemistry to explore structure-activity relationships (SAR) in drug design. Its reactive ester and amino groups enable facile derivatization for combinatorial library synthesis.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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