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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.
| Sonrisas canónicas | CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C)C |
|---|---|
| IUPAC Name | 3-(2-chlorophenyl)-5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide |
| InChIKey | ZJPGBQZRYIHMAB-UHFFFAOYSA-N |
| INCHI | 1S/C22H18ClN3O2S/c1-12-8-10-15(11-9-12)19-14(3)29-22(24-19)25-21(27)18-13(2)28-26-20(18)16-6-4-5-7-17(16)23/h4-11H,1-3H3,(H,24,25,27) |
| Peso molecular | 423.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,4,5-trisubstituted thiazoles |
| Alternative Parents | Toluenes Chlorobenzenes Aryl chlorides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4,5-trisubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Isoxazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only. |
| External Descriptors | Not available |
| Peso molecular | 423.900 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 423.081 Da |
| Monoisotopic Mass | 423.081 Da |
| Topological Polar Surface Area | 96.300 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 574.000 |
| 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 |
![3-(2-chlorophenyl)-5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-isoxazolecarboxamide , CAS No.329226-79-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)