for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)NC1=NC=C(S1)C(=O)O |
|---|---|
| IUPAC Name | 2-acetamido-1,3-thiazole-5-carboxylic acid |
| InChIKey | SJYFSVDACNOHOD-UHFFFAOYSA-N |
| INCHI | 1S/C6H6N2O3S/c1-3(9)8-6-7-2-4(12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9) |
| Isomeric SMILES | CC(=O)NC1=NC=C(S1)C(=O)O |
| Molecular Weight | 186.19 |
| Reaxy-Rn | 20650430 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20650430&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | N-arylamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-acetylarylamines |
| Alternative Parents | Thiazolecarboxylic acids and derivatives 2,5-disubstituted thiazoles Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-acetylarylamine - Thiazolecarboxylic acid or derivatives - 2,5-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Thiazole - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 186.190 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 186.01 Da |
| Monoisotopic Mass | 186.01 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |
