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2-Amino-1,3-thiazole-5-carboxamide - 96%, high purity , CAS No.52499-04-4
Basic Description
Synonyms
52499-04-4 | 2-amino-1,3-thiazole-5-carboxamide | 2-Aminothiazole-5-carboxamide | 5-Thiazolecarboxamide,2-amino-(9CI) | 2-imino-2,3-dihydro-1,3-thiazole-5-carboxamide | 2-amino-thiazole-5-carboxamide | SCHEMBL1636287 | CHEMBL4569460 | DTXSID90585391 | NQXGKSIKPATTNC-UHFFFA
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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 Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds 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 - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - 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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-amino-1,3-thiazole-5-carboxamide
INCHI
InChI=1S/C4H5N3OS/c5-3(8)2-1-7-4(6)9-2/h1H,(H2,5,8)(H2,6,7)
InChIKey
NQXGKSIKPATTNC-UHFFFAOYSA-N
Smiles
C1=C(SC(=N1)N)C(=O)N
Isomeric SMILES
C1=C(SC(=N1)N)C(=O)N
Molecular Weight
143.2
Reaxy-Rn
124209
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124209&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
143.170 g/mol
XLogP3
-0.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
143.015 Da
Monoisotopic Mass
143.015 Da
Topological Polar Surface Area
110.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
129.000
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
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