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

C11H9NO6S — CID 117188113

IUPAC2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)C1=CN=C(COc2cccc(O)c2)S1(=O)=O
InChIInChI=1S/C11H9NO6S/c13-7-2-1-3-8(4-7)18-6-10-12-5-9(11(14)15)19(10,16)17/h1-5,13H,6H2,(H,14,15)
InChIKeyRBDGJQKQQJUHJE-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.52
Rot. Bonds4

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

2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid (PubChem CID 117188113) has the molecular formula C11H9NO6S and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid
PubChem CID117188113
Molecular FormulaC11H9NO6S
Molecular Weight283.26 g/mol
Exact Mass283.02
IUPAC Name2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)C1=CN=C(COc2cccc(O)c2)S1(=O)=O
InChIInChI=1S/C11H9NO6S/c13-7-2-1-3-8(4-7)18-6-10-12-5-9(11(14)15)19(10,16)17/h1-5,13H,6H2,(H,14,15)
InChIKeyRBDGJQKQQJUHJE-UHFFFAOYSA-N
XLogP0.52
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors6
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 ≤ 106

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Related Compounds

5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
4-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117216366
2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide
CID 117188100
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
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697
1-ethyl-5-[(3-hydroxyphenoxy)methyl]pyrazole-4-carboxylic acid
CID 117217970
5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid
CID 117218199
3-(3-hydroxyphenoxy)propanal
CID 84765037
5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
CID 117193242
1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine
CID 117188137

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid (CID 117188113) is 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid is O=C(O)C1=CN=C(COc2cccc(O)c2)S1(=O)=O.
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid?
The InChIKey is RBDGJQKQQJUHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6S/c13-7-2-1-3-8(4-7)18-6-10-12-5-9(11(14)15)19(10,16)17/h1-5,13H,6H2,(H,14,15).
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid?
2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-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 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117188113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).