for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C#CCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)N=C3CCCC3 |
|---|---|
| IUPAC Name | 4-(4-chlorophenyl)-N-(cyclopentylideneamino)-N-prop-2-ynyl-1,3-thiazol-2-amine |
| InChIKey | JDLMHEOHMFFSDW-UHFFFAOYSA-N |
| INCHI | 1S/C17H16ClN3S/c1-2-11-21(20-15-5-3-4-6-15)17-19-16(12-22-17)13-7-9-14(18)10-8-13/h1,7-10,12H,3-6,11H2 |
| Isomeric SMILES | C#CCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)N=C3CCCC3 |
| PubChem CID | 91971304 |
| Molecular Weight | 329.85 |
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 | 2,4-disubstituted thiazoles |
| Alternative Parents | Chlorobenzenes Aryl chlorides Heteroaromatic compounds N-alkylated hydrazones Azacyclic compounds Acetylides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - N-alkylated hydrazone - Acetylide - Azacycle - Hydrazone - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3. |
| External Descriptors | Not available |
| Molecular Weight | 329.800 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.075 Da |
| Monoisotopic Mass | 329.075 Da |
| Topological Polar Surface Area | 56.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 442.000 |
| 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 |
