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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 | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=C(S2)CC(=O)NN)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide |
| InChIKey | FODGXENEXLSOCB-UHFFFAOYSA-N |
| INCHI | 1S/C16H14F3N5OS/c1-9-7-12(16(17,18)19)24(23-9)15-21-14(10-5-3-2-4-6-10)11(26-15)8-13(25)22-20/h2-7H,8,20H2,1H3,(H,22,25) |
| Isomeric SMILES | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=C(S2)CC(=O)NN)C3=CC=CC=C3 |
| PubChem CID | 1472827 |
| Molecular Weight | 381.38 |
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 | 2,4,5-trisubstituted thiazoles |
| Alternative Parents | Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4,5-trisubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Pyrazole - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 381.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 381.087 Da |
| Monoisotopic Mass | 381.087 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 503.000 |
| 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 |
![2-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl}acetohydrazide , CAS No.955976-95-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)