Compound Identification
SMILES
CCN(CCOC(C)=O)C1=CC=C(N=NC2=NC=C(S2)N(=O)=O)C(C)=C1
InChIKey
InChIKey=HMAJVAFLGGPIPN-UHFFFAOYSA-N
Formula
C16H19N5O4S
Mass
377.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Azoles
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Subclass
Thiazoles
- Level 5 Nitrothiazoles
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Subclass
Thiazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
Nitrothiazoles
Alternative Parents
Aminotoluenes Aniline and substituted anilines Nitroaromatic compounds Dialkylarylamines 2,5-disubstituted thiazoles Heteroaromatic compounds Amino acids and derivatives Azo compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic zwitterions Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrothiazole - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - 2,5-disubstituted 1,3-thiazole - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - Amino acid or derivatives - Azo compound - Tertiary amine - Carboxylic acid ester - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Organic zwitterion - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrothiazoles. These are compounds containing a thiazole ring which bears a nitro group.
External Descriptors
CHEBI:59605 : tertiary amine - 1,3-thiazole - monoazo compound