4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid

C11H9NO6S — CID 117216366

IUPAC4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)C1=C(COc2cccc(O)c2)C=NS1(=O)=O
InChIInChI=1S/C11H9NO6S/c13-8-2-1-3-9(4-8)18-6-7-5-12-19(16,17)10(7)11(14)15/h1-5,13H,6H2,(H,14,15)
InChIKeyWORTZRWRIFWJOS-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.52
Rot. Bonds4

About 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid

4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid (PubChem CID 117216366) has the molecular formula C11H9NO6S and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
PubChem CID117216366
Molecular FormulaC11H9NO6S
Molecular Weight283.26 g/mol
Exact Mass283.02
IUPAC Name4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)C1=C(COc2cccc(O)c2)C=NS1(=O)=O
InChIInChI=1S/C11H9NO6S/c13-8-2-1-3-9(4-8)18-6-7-5-12-19(16,17)10(7)11(14)15/h1-5,13H,6H2,(H,14,15)
InChIKeyWORTZRWRIFWJOS-UHFFFAOYSA-N
XLogP0.52
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117216367
4-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117216359
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid
CID 117188113
3-[(3-hydroxyphenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255250
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256906
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697
5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255208
1-ethyl-5-[(3-hydroxyphenoxy)methyl]pyrazole-4-carboxylic acid
CID 117217970

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid (CID 117216366) is 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid is O=C(O)C1=C(COc2cccc(O)c2)C=NS1(=O)=O.
What is the InChIKey of 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid?
The InChIKey is WORTZRWRIFWJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6S/c13-8-2-1-3-9(4-8)18-6-7-5-12-19(16,17)10(7)11(14)15/h1-5,13H,6H2,(H,14,15).
What are the key properties of 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid?
4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117216366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).