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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=NC(=C(S1)CO)C(F)(F)F.Cl |
|---|---|
| IUPAC Name | [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol;hydrochloride |
| InChIKey | VMHCVILEWMQRSO-UHFFFAOYSA-N |
| INCHI | 1S/C6H6F3NOS.ClH/c1-3-10-5(6(7,8)9)4(2-11)12-3;/h11H,2H2,1H3;1H |
| Molecular Weight | 233.64 |
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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 | Heteroaromatic compounds Imidothioesters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Imidothioic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4,5-trisubstituted 1,3-thiazole - Heteroaromatic compound - Imidothioester - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Imidothioic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - 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 | 233.640 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 232.989 Da |
| Monoisotopic Mass | 232.989 Da |
| Topological Polar Surface Area | 61.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 | 2 |