3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione

C7H4N2O3S — CID 135732714

IUPAC3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2nccs2)=C1O
InChIInChI=1S/C7H4N2O3S/c10-4-3(5(11)9-6(4)12)7-8-1-2-13-7/h1-2H,(H2,9,10,11,12)
InChIKeyKQWXLPLHMHVLMO-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.07
Rot. Bonds1

About 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione

3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione (PubChem CID 135732714) has the molecular formula C7H4N2O3S and a molecular weight of 196.19 g/mol. Its IUPAC name is 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione
PubChem CID135732714
Molecular FormulaC7H4N2O3S
Molecular Weight196.19 g/mol
Exact Mass195.99
IUPAC Name3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2nccs2)=C1O
InChIInChI=1S/C7H4N2O3S/c10-4-3(5(11)9-6(4)12)7-8-1-2-13-7/h1-2H,(H2,9,10,11,12)
InChIKeyKQWXLPLHMHVLMO-UHFFFAOYSA-N
XLogP0.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one
CID 165444968
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 177255972
2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 22767721
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 100950298
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate
CID 174259583
1-methyl-4-(1,3-thiazol-2-yl)imidazole-2-carbaldehyde
CID 89487203
methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1,3-thiazol-2-yl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzoate
CID 90893540
ethane;2-(1,3-thiazol-5-yl)-1,3-thiazole
CID 144537709
CID 69459233
CID 69459233

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione (CID 135732714) is 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2nccs2)=C1O.
What is the InChIKey of 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione?
The InChIKey is KQWXLPLHMHVLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3S/c10-4-3(5(11)9-6(4)12)7-8-1-2-13-7/h1-2H,(H2,9,10,11,12).
What are the key properties of 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione?
3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione has a molecular weight of 196.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 135732714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).