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Tiamenidine , CAS No.31428-61-2
Basic Description
Synonyms
A919194 | Symcor Base TTS | Hoe-440 | Tiamenidinum | Tiamenidina [INN-Spanish] | Tiamenidine (USAN/INN) | Symcor base TTS (TN) | L001813 | Tiamenidine [USAN:INN:BAN] | N-(2-chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine | 2-[(2-chloro-4-met
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Aryl halides
Subclass
Aryl chlorides
Intermediate Tree Nodes
Not available
Direct Parent
Aryl chlorides
Alternative Parents
Thiophenes Imidazolines Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl chloride - 2-imidazoline - Heteroaromatic compound - Thiophene - Guanidine - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional 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
N-(2-chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine
INCHI
InChI=1S/C8H10ClN3S/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8/h4H,2-3H2,1H3,(H2,10,11,12)
InChIKey
CVWILQHZFWRYPB-UHFFFAOYSA-N
Smiles
CC1=CSC(=C1NC2=NCCN2)Cl
Isomeric SMILES
CC1=CSC(=C1NC2=NCCN2)Cl
PubChem CID
39974
Molecular Weight
215.7
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
215.700 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
215.028 Da
Monoisotopic Mass
215.028 Da
Topological Polar Surface Area
64.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
221.000
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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