| Canonical Smiles | CNC1=NC=C(S1)Cl |
|---|---|
| IUPAC Name | 5-chloro-N-methyl-1,3-thiazol-2-amine |
| InChIKey | AURZOMYJKGRSBC-UHFFFAOYSA-N |
| INCHI | 1S/C4H5ClN2S/c1-6-4-7-2-3(5)8-4/h2H,1H3,(H,6,7) |
| Molecular Weight | 148.61 |
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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 | Secondary alkylarylamines Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Secondary aliphatic/aromatic amine - 2,5-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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 | 148.610 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 147.986 Da |
| Monoisotopic Mass | 147.986 Da |
| Topological Polar Surface Area | 53.200 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 80.400 |
| 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 |
