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2-Aminothiazole-5-carbonitrile - 98%, high purity , CAS No.51640-52-9
Basic Description
Synonyms
2-Aminothiazole-5-carbonitrile | 51640-52-9 | 2-amino-1,3-thiazole-5-carbonitrile | 2-AMINO-5-CYANOTHIAZOLE | CHEMBL5203747 | MFCD08275724 | 5-Thiazolecarbonitrile, 2-amino- | SCHEMBL342859 | CS-WAA0166 | 2-Amino-thiazole-5-carbonitrile | DTXSID40434789 | YJTBHWXNEMGNDC-UHFFFA
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,5-disubstituted thiazoles
Alternative Parents
2-amino-1,3-thiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,5-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Primary amine - Organonitrogen 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
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
Pubchem Sid
504765222
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504765222
IUPAC Name
2-amino-1,3-thiazole-5-carbonitrile
INCHI
InChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)
InChIKey
YJTBHWXNEMGNDC-UHFFFAOYSA-N
Smiles
C1=C(SC(=N1)N)C#N
Isomeric SMILES
C1=C(SC(=N1)N)C#N
WGK Germany
3
PubChem CID
10057507
Molecular Weight
125.15
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
125.150 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
125.005 Da
Monoisotopic Mass
125.005 Da
Topological Polar Surface Area
90.900 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
126.000
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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E1920054