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5-(2-Hydroxy-4-thiazol-5-yl-phenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

HCID 57777463
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CN(c2ccc(-c3cncs3)cc2O)S(=O)(=O)N1
InChIKey
ZTFRVTBDSRTWCP-UHFFFAOYSA-N
Molecular formula
C11H9N3O4S2
Average molar mass
311.3 g/mol

Names & identifiers

Preferred name
5-(2-Hydroxy-4-thiazol-5-yl-phenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
IUPAC
5-[2-hydroxy-4-(1,3-thiazol-5-yl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Names & synonyms

SCHEMBL3224416ZTFRVTBDSRTWCP-UHFFFAOYSA-N5-(2-Hydroxy-4-thiazol-5-yl-phenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Database identifiers

PubChem CID
57777463

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
136 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
20
Formal charge
0
Complexity
492

Related reactions

2 records
New reaction record
HRID 98972 reaction equation
HRID 98972As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 660727 reaction equation
HRID 660727As productuspto-grants-2011_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes