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N-(5-Benzyl-thiazol-2-yl)-2-chloro-acetamide - 95%, high purity , CAS No.301306-13-8
Basic Description
Synonyms
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloroacetamide | 301306-13-8 | N-(5-Benzyl-thiazol-2-yl)-2-chloro-acetamide | N-(5-Benzylthiazol-2-yl)-2-chloroacetamide | BMA30613 | STK952031 | AKOS000301322 | UPCMLD0ENAT5292182:001 | CS-0450700 | EN300-11136 | AB-601/30966053 | SR-010003154
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
N-arylamides
Intermediate Tree Nodes
Not available
Direct Parent
N-arylamides
Alternative Parents
2,5-disubstituted thiazoles Benzene and substituted derivatives Heteroaromatic compounds Chloroacetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylamide - 2,5-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Azole - Chloroacetamide - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl 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.
Names and Identifiers
IUPAC Name
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloroacetamide
INCHI
InChI=1S/C12H11ClN2OS/c13-7-11(16)15-12-14-8-10(17-12)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15,16)
InChIKey
JHXGLKACLBGNHG-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CCl
Isomeric SMILES
C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CCl
Molecular Weight
266.75
Reaxy-Rn
5551122
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5551122&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
266.750 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
266.028 Da
Monoisotopic Mass
266.028 Da
Topological Polar Surface Area
70.200 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
259.000
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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