for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=NSC(=N4)C5=CC=CC=C5 |
|---|---|
| IUPAC Name | 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide |
| InChIKey | RQCMBGOLKWZWSI-UHFFFAOYSA-N |
| INCHI | 1S/C21H16N6OS3/c1-13-7-9-14(10-8-13)16-11-29-20-24-25-21(27(16)20)30-12-17(28)22-19-23-18(31-26-19)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,26,28) |
| Peso molecular | 464.600 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Triazolothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolothiazoles |
| Alternative Parents | N-arylamides Toluenes Alkylarylthioethers Triazoles Thiazoles Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl thioether - Triazolothiazole - N-arylamide - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Thiadiazole - Thiazole - 1,2,4-triazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triazolothiazoles. These are polycyclic compounds containing a triazole ring fused to a thiazole ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Thiazole is a 6-membered ring that contains both sulfur and nitrogen. |
| External Descriptors | Not available |
| Peso molecular | 464.600 g/mol |
|---|---|
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 464.055 Da |
| Monoisotopic Mass | 464.055 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 616.000 |
| 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-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]thio}-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide - CAS No(690645-18-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M956225.jpg)