2-Acetylamino-5-Nitrothiazole

Basic Info

Common Name2-Acetylamino-5-Nitrothiazole(F05647)
2D Structure
FRCD IDF05647
CAS Number140-40-9
PubChem CID8798
FormulaC5H5N3O3S
IUPAC Name

N-(5-nitro-1,3-thiazol-2-yl)acetamide

InChI Key

UJRRDDHEMZLWFI-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)

Canonical SMILES

CC(=O)NC1=NC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC=C(S1)[N+](=O)[O-]

Synonyms
        
            Aminitrozol
        
            Nithiamide
        
            2-Acetamido-5-nitrothiazole
        
            140-40-9
        
            Aminitrozole
        
            Acinitrazole
        
            Nitazole
        
            Tritheon
        
            Gynofon
        
            Ametoterina
Classifies
                

                  
                    Predicted: Pesticide
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassN-arylamides
Intermediate Tree NodesNot available
Direct ParentN-acetylarylamines
Alternative Parents
Molecular FrameworkAromatic heteromonocyclic compounds
SubstituentsN-acetylarylamine - Nitroaromatic compound - Nitrothiazole - 2,5-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Acetamide - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group.

Properties

Property NameProperty Value
Molecular Weight187.173
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity205
Monoisotopic Mass187.005
Exact Mass187.005
XLogP1.3
Formal Charge0
Heavy Atom Count12
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
Edible Tissues Of TurkeysUnited States0.1ppm
Other Poultry Animals,Edible OffalJapan0.1ppm
Other Poultry Animals,KidneyJapan0.1ppm
Other Poultry Animals,LiverJapan0.1ppm
Other Poultry Animals,FatJapan0.1ppm
Other Poultry Animals,MuscleJapan0.1 ppm