| Canonical Smiles | CC1=NSC(=C1C(=O)N)N |
|---|---|
| IUPAC Name | 5-amino-3-methyl-1,2-thiazole-4-carboxamide |
| InChIKey | POWWAPJPGLAMHL-UHFFFAOYSA-N |
| INCHI | 1S/C5H7N3OS/c1-2-3(4(6)9)5(7)10-8-2/h7H2,1H3,(H2,6,9) |
| Isomeric SMILES | CC1=NSC(=C1C(=O)N)N |
| PubChem CID | 12255089 |
| Molecular Weight | 157.19 |
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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 | Aminothiazoles Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiazolecarboxamide - 1,2-thiazolamine - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - 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 | 157.200 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 157.031 Da |
| Monoisotopic Mass | 157.031 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 152.000 |
| 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 |
