5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid

C11H7NO7S — CID 117218199

IUPAC5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid
SMILESO=C(O)C1=NS(=O)(=O)C(C(=O)Oc2cccc(O)c2)=C1
InChIInChI=1S/C11H7NO7S/c13-6-2-1-3-7(4-6)19-11(16)9-5-8(10(14)15)12-20(9,17)18/h1-5,13H,(H,14,15)
InChIKeyVFIMEFLYWBTJCZ-UHFFFAOYSA-N
MW297.24 g/mol
LogP0.05
Rot. Bonds3

About 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid

5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid (PubChem CID 117218199) has the molecular formula C11H7NO7S and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid
PubChem CID117218199
Molecular FormulaC11H7NO7S
Molecular Weight297.24 g/mol
Exact Mass296.99
IUPAC Name5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid
SMILESO=C(O)C1=NS(=O)(=O)C(C(=O)Oc2cccc(O)c2)=C1
InChIInChI=1S/C11H7NO7S/c13-6-2-1-3-7(4-6)19-11(16)9-5-8(10(14)15)12-20(9,17)18/h1-5,13H,(H,14,15)
InChIKeyVFIMEFLYWBTJCZ-UHFFFAOYSA-N
XLogP0.05
TPSA130.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methoxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid
CID 117218200
3-(3-methoxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117215136
5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218109
phenyl 3-amino-1,1-dioxo-1,2-thiazole-5-carboxylate
CID 117218179
5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid
CID 117213155
4-(3-hydroxyphenoxy)carbonylthiadiazole-5-carboxylic acid
CID 117214946
(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218664
3-(4-chlorophenoxy)carbonyl-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117215139
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid
CID 150587214
(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
CID 66771976

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid?
The IUPAC name of 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid (CID 117218199) is 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid?
The canonical SMILES for 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid is O=C(O)C1=NS(=O)(=O)C(C(=O)Oc2cccc(O)c2)=C1.
What is the InChIKey of 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid?
The InChIKey is VFIMEFLYWBTJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO7S/c13-6-2-1-3-7(4-6)19-11(16)9-5-8(10(14)15)12-20(9,17)18/h1-5,13H,(H,14,15).
What are the key properties of 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid?
5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid has a molecular weight of 297.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid is sourced from PubChem (CID 117218199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).