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

C11H9NO6S — CID 117186902

IUPAC2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1=CS(=O)(=O)C(COc2ccccc2O)=N1
InChIInChI=1S/C11H9NO6S/c13-8-3-1-2-4-9(8)18-5-10-12-7(11(14)15)6-19(10,16)17/h1-4,6,13H,5H2,(H,14,15)
InChIKeyWFQSRHSPTDZQBS-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.52
Rot. Bonds4

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

2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid (PubChem CID 117186902) has the molecular formula C11H9NO6S and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid
PubChem CID117186902
Molecular FormulaC11H9NO6S
Molecular Weight283.26 g/mol
Exact Mass283.02
IUPAC Name2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1=CS(=O)(=O)C(COc2ccccc2O)=N1
InChIInChI=1S/C11H9NO6S/c13-8-3-1-2-4-9(8)18-5-10-12-7(11(14)15)6-19(10,16)17/h1-4,6,13H,5H2,(H,14,15)
InChIKeyWFQSRHSPTDZQBS-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

2-[(2-methyl-1,1-dioxo-1,3-thiazol-4-yl)methoxy]phenol
CID 117191155
2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide
CID 117186886
3-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117170648
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
CID 131854846
CID 131854846
5-[(2-hydroxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 117217155
2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187276
2-[(2-methyl-1,1-dioxo-1,3-thiazol-5-yl)methoxy]phenol
CID 117192456
2-(2-hydroxyphenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 63563880
2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid
CID 54898573
2-(2-hydroxyphenoxy)acetamide
CID 786426

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid (CID 117186902) is 2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid is O=C(O)C1=CS(=O)(=O)C(COc2ccccc2O)=N1.
What is the InChIKey of 2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid?
The InChIKey is WFQSRHSPTDZQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6S/c13-8-3-1-2-4-9(8)18-5-10-12-7(11(14)15)6-19(10,16)17/h1-4,6,13H,5H2,(H,14,15).
What are the key properties of 2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid?
2-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-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-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117186902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).