Determine the necessary mass, volume, or concentration for preparing a solution.
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≥97% 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 | C1CN(CCN1C2=NC=C(S2)C(=O)N)C(=O)C3=CC=CC=C3C(F)(F)F |
|---|---|
| IUPAC Name | 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide |
| InChIKey | XCYAUDKMHBMJSP-UHFFFAOYSA-N |
| INCHI | 1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24) |
| Isomeric SMILES | C1CN(CCN1C2=NC=C(S2)C(=O)N)C(=O)C3=CC=CC=C3C(F)(F)F |
| PubChem CID | 11973722 |
| Molecular Weight | 384.38 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Trifluoromethylbenzenes Benzamides Thiazolecarboxamides 2-heteroaryl carboxamides Dialkylarylamines Benzoyl derivatives 2,5-disubstituted thiazoles 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - 2,5-disubstituted 1,3-thiazole - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
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| Molecular Weight | 384.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 384.087 Da |
| Monoisotopic Mass | 384.087 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 540.000 |
| 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 |