≥97% 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 | COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCNCC3 |
|---|---|
| IUPAC Name | N-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide |
| InChIKey | RNIVJICSUXETNY-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N4O2S/c1-21-12-4-2-11(3-5-12)17-13(20)15-19-18-14(22-15)10-6-8-16-9-7-10/h2-5,10,16H,6-9H2,1H3,(H,17,20) |
| Isomeric SMILES | COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCNCC3 |
| PubChem CID | 46318363 |
| Molecular Weight | 318.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Methoxyanilines 2-heteroaryl carboxamides Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Piperidines Heteroaromatic compounds Thiadiazoles Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - Methoxyaniline - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Piperidine - Azole - Heteroaromatic compound - Thiadiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen 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 | 318.400 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 318.115 Da |
| Monoisotopic Mass | 318.115 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |
