Compound Identification
SMILES
CC1=C(CCOON=O)SC(NC2=NC(C)=C(CCO[N+]([O-])=O)S2)=N1
InChIKey
InChIKey=XERUCWUNHQZCBC-UHFFFAOYSA-N
Formula
C12H15N5O6S2
Mass
389.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Thiazoles
- Level 5 2,4,5-trisubstituted thiazoles
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Subclass
Thiazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4,5-trisubstituted thiazoles
Alternative Parents
2-amino-1,3-thiazoles Organic peroxynitrites Heteroaromatic compounds Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Organic O-nitroso compounds Secondary amines Azacyclic compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Organic nitrate - Organic peroxynitrite - Heteroaromatic compound - Alkyl nitrate - Organic o-nitroso compound - Organic nitric acid or derivatives - Organic nitro compound - Organic nitroso compound - Azacycle - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
External Descriptors
Not available