| Canonical Smiles | C1=C(SC(=N1)C(=O)N)Cl |
|---|---|
| IUPAC Name | 5-chloro-1,3-thiazole-2-carboxamide |
| InChIKey | LIPUYXJOQDUKPJ-UHFFFAOYSA-N |
| INCHI | 1S/C4H3ClN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8) |
| Molecular Weight | 162.6 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Thiazolecarboxylic acids and derivatives |
| Direct Parent | Thiazolecarboxamides |
| Alternative Parents | 2-heteroaryl carboxamides 2,5-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Thiazolecarboxamide - 2,5-disubstituted 1,3-thiazole - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group. |
| External Descriptors | Not available |
| Molecular Weight | 162.600 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 161.965 Da |
| Monoisotopic Mass | 161.965 Da |
| Topological Polar Surface Area | 84.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 |
