| Canonical Smiles | CNC(=O)C1=CN=C(S1)N |
|---|---|
| IUPAC Name | 2-amino-N-methyl-1,3-thiazole-5-carboxamide |
| InChIKey | HFTJNNFMHMUUBI-UHFFFAOYSA-N |
| INCHI | 1S/C5H7N3OS/c1-7-4(9)3-2-8-5(6)10-3/h2H,1H3,(H2,6,8)(H,7,9) |
| Isomeric SMILES | CNC(=O)C1=CN=C(S1)N |
| Molecular Weight | 157.19 |
| Reaxy-Rn | 19558787 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19558787&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Thiazolecarboxamide - 2,5-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary 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 | 0.200 |
| 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 | 96.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 |
