| Canonical Smiles | C1=C(SC(=N1)CCl)Br |
|---|---|
| IUPAC Name | 5-bromo-2-(chloromethyl)-1,3-thiazole |
| InChIKey | OEWLMHYIBRHMBK-UHFFFAOYSA-N |
| INCHI | 1S/C4H3BrClNS/c5-3-2-7-4(1-6)8-3/h2H,1H2 |
| Molecular Weight | 212.5 |
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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 bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted 1,3-thiazole - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl chloride - 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 | 212.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 210.886 Da |
| Monoisotopic Mass | 210.886 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 82.400 |
| 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 |
