Thiazole-5-carboxamide

Base Information

• Chemical Name: Thiazole-5-carboxamide
• CAS No.: 74411-19-1
• Molecular Formula: C4H4N2OS
• Molecular Weight: 128.155
• Hs Code.: 2934100090
• European Community (EC) Number: 277-861-6
• UNII: Q6YS0A8KQE
• DSSTox Substance ID: DTXSID20225410
• Nikkaji Number: J318.971F
• Wikidata: Q27225540
• Mol file: 74411-19-1.mol

Synonyms:Thiazole-5-carboxamide;74411-19-1;5-Thiazolecarboxamide;1,3-thiazole-5-carboxamide;EINECS 277-861-6;UNII-Q6YS0A8KQE;Q6YS0A8KQE;Thiazole-5-carboxylic acid amide;SCHEMBL954218;DTXSID20225410;CHEBI:132332;GGNIKGLUPSHSBV-UHFFFAOYSA-N;Thiazole-5-carboxamide, AldrichCPR;MFCD06797205;AKOS006221412;CS-0259104;FT-0703496;EN300-72327;A19589;D79735;J-524915;Q27225540;Z741560256

Chemical Property of Thiazole-5-carboxamide

Chemical Property:

• Vapor Pressure: 1.59E-05mmHg at 25°C
• Melting Point: 196 °C
• Refractive Index: 1.613
• Boiling Point: 365.2 °C at 760 mmHg
• PKA: 14.67±0.50(Predicted)
• Flash Point: 174.7 °C
• PSA: 84.22000
• Density: 1.41 g/cm³
• LogP: 0.94230
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 128.00443393
• Heavy Atom Count: 8
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Thiazole-5-carboxamide ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC=N1)C(=O)N

Technology Process of Thiazole-5-carboxamide

There total 2 articles about Thiazole-5-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

thiazole-5-carboxylic acid (14527-41-4) → thiazole-5-carboxamide (74411-19-1)

Guidance literature:

thiazole-5-carboxylic acid; With thionyl chloride; In toluene; for 1.5h; Reflux;

With ammonia; In tetrahydrofuran; for 0.166667h;

Reference yield:

ethyl thiazole-5-carboxylate (32955-22-9) → thiazole-5-carboxamide (74411-19-1)

Guidance literature:

With ammonia;

Reference yield: 45.0%

thiazole-5-carboxamide (74411-19-1) + cyclohexyltrifluoro-λ4-borane potassium salt (446065-11-8) → C10H14N2OS

Guidance literature:

With chloropyridinecobaloxime(III); 2,4-bis(4-methoxyphenyl)quinoline; trifluoroacetic acid; In 1,4-dioxane; at 37 ℃; for 20h; Irradiation; Inert atmosphere;

DOI:10.1021/acscatal.1c04073

upstream raw materials:

ethyl thiazole-5-carboxylate

thiazole-5-carboxylic acid

Downstream raw materials:

thiazole-5-carbonitrile

N-(2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl)thiazole-5-carboxamide

Refernces