≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1=C(C=CC(=C1NC(=O)C2=NC(=CS2)C(C)C)C(=O)C)OC |
|---|---|
| IUPAC Name | N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide |
| InChIKey | GZYNUOMXGGSXMI-UHFFFAOYSA-N |
| INCHI | 1S/C17H20N2O3S/c1-9(2)13-8-23-17(18-13)16(21)19-15-10(3)14(22-5)7-6-12(15)11(4)20/h6-9H,1-5H3,(H,19,21) |
| Isomeric SMILES | CC1=C(C=CC(=C1NC(=O)C2=NC(=CS2)C(C)C)C(=O)C)OC |
| PubChem CID | 53482122 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Alkyl-phenylketones Methoxyanilines Acetophenones Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Thiazolecarboxamides 2-heteroaryl carboxamides Phenoxy compounds Toluenes 2,4-disubstituted thiazoles Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - Alkyl-phenylketone - Methoxyaniline - Phenylketone - Acetophenone - Phenol ether - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - 2-heteroaryl carboxamide - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Toluene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Thiazole - Heteroaromatic compound - Azole - Vinylogous amide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 332.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 332.119 Da |
| Monoisotopic Mass | 332.119 Da |
| Topological Polar Surface Area | 96.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 444.000 |
| 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 |
