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2-Chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide , CAS No.15777-41-0
Discover 2-Chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide by Aladdin Scientific in for only $499.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
15777-41-0 | 2-Chloro-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide | 2-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide | 2-chloro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide | Acetamide, 2-chloro-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]- | 2-C
Storage Temp
Room temperature
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
Thiadiazoles 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 - Chloroacetamide - Heteroaromatic compound - Thiadiazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - 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
2-chloro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
INCHI
InChI=1S/C7H10ClN3OS/c1-4(2)6-10-11-7(13-6)9-5(12)3-8/h4H,3H2,1-2H3,(H,9,11,12)
InChIKey
AARFUCMXVZRFBG-UHFFFAOYSA-N
Smiles
CC(C)C1=NN=C(S1)NC(=O)CCl
Isomeric SMILES
CC(C)C1=NN=C(S1)NC(=O)CCl
Molecular Weight
219.69
Reaxy-Rn
984993
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=984993&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
219.690 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
219.023 Da
Monoisotopic Mass
219.023 Da
Topological Polar Surface Area
83.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
191.000
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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