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4-(2,4-Dichlorophenyl)-5-methylthiazol-2-amine , CAS No.188120-61-8
Basic Description
Synonyms
4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine | 188120-61-8 | 4-(2,4-Dichlorophenyl)-5-methylthiazol-2-amine | MFCD02663881 | 4-(2,4-dichlorophenyl)-5-methylthiazol-2-ylamine | 4-(2,4-Dichloro-phenyl)-5-methyl-thiazol-2-ylamine | Oprea1_421343 | 2-Thiazolamine, 4
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4,5-trisubstituted thiazoles
Alternative Parents
Dichlorobenzenes Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-thiazole - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Primary amine - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 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.
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
4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
INCHI
InChI=1S/C10H8Cl2N2S/c1-5-9(14-10(13)15-5)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H2,13,14)
InChIKey
SUELLSJOIIXFPP-UHFFFAOYSA-N
Smiles
CC1=C(N=C(S1)N)C2=C(C=C(C=C2)Cl)Cl
Isomeric SMILES
CC1=C(N=C(S1)N)C2=C(C=C(C=C2)Cl)Cl
Molecular Weight
259.15
Reaxy-Rn
8262348
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8262348&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
259.149 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
257.979 Da
Monoisotopic Mass
257.979 Da
Topological Polar Surface Area
67.200 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
229.000
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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