Ethyl 2-methylthiazole-4-carboxylate is a reactant used in the synthesis of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug resistant tuberculosis.
| Pubchem Sid | 488189333 |
|---|---|
| Canonical Smiles | CCOC(=O)C1=CSC(=N1)C |
| IUPAC Name | ethyl 2-methyl-1,3-thiazole-4-carboxylate |
| InChIKey | QWWPUBQHZFHZSF-UHFFFAOYSA-N |
| INCHI | 1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1=CSC(=N1)C |
| WGK Germany | 3 |
| Molecular Weight | 171.22 |
| Reaxy-Rn | 121938 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121938&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazolecarboxylic acids and derivatives |
| Alternative Parents | 2,4-disubstituted thiazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2313204 | Certificate of Analysis | Apr 07, 2026 | E293792 |
| G2215387 | Certificate of Analysis | Apr 02, 2025 | E293792 |
| G2215392 | Certificate of Analysis | Apr 02, 2025 | E293792 |
| G2215474 | Certificate of Analysis | Apr 02, 2025 | E293792 |
| G2215475 | Certificate of Analysis | Apr 02, 2025 | E293792 |
| Melt Point(°C) | 54 - 58 °C |
|---|---|
| Molecular Weight | 171.220 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 171.035 Da |
| Monoisotopic Mass | 171.035 Da |
| Topological Polar Surface Area | 67.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 151.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
