| Canonical Smiles | CCC1=C(SC(=N1)C)CCl |
|---|---|
| IUPAC Name | 5-(chloromethyl)-4-ethyl-2-methyl-1,3-thiazole |
| InChIKey | OIUCVKUDCWVUDK-UHFFFAOYSA-N |
| INCHI | 1S/C7H10ClNS/c1-3-6-7(4-8)10-5(2)9-6/h3-4H2,1-2H3 |
| Isomeric SMILES | CCC1=C(SC(=N1)C)CCl |
| PubChem CID | 25219504 |
| Molecular Weight | 175.68 |
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 | Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4,5-trisubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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 | 175.680 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 175.022 Da |
| Monoisotopic Mass | 175.022 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 |
