| Canonical Smiles | C1=C(SC(=N1)C=O)C(F)(F)F |
|---|---|
| IUPAC Name | 5-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde |
| InChIKey | GXVQGBUDNIUMEZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H2F3NOS/c6-5(7,8)3-1-9-4(2-10)11-3/h1-2H |
| Isomeric SMILES | C1=C(SC(=N1)C=O)C(F)(F)F |
| PubChem CID | 53418329 |
| Molecular Weight | 181.14 |
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 | 2,5-disubstituted thiazoles |
| Alternative Parents | Aryl-aldehydes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted 1,3-thiazole - Aryl-aldehyde - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aldehyde - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only. |
| External Descriptors | Not available |
| Molecular Weight | 181.140 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 180.981 Da |
| Monoisotopic Mass | 180.981 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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 |
