5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid

C11H9NO5S — CID 54010039

IUPAC5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid
SMILESCOc1ccc(-c2sc(=O)[nH]c2O)cc1C(=O)O
InChIInChI=1S/C11H9NO5S/c1-17-7-3-2-5(4-6(7)10(14)15)8-9(13)12-11(16)18-8/h2-4,13H,1H3,(H,12,16)(H,14,15)
InChIKeyKRRDCXIGKPQNGL-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.52
Rot. Bonds3

About 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid

5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid (PubChem CID 54010039) has the molecular formula C11H9NO5S and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid
PubChem CID54010039
Molecular FormulaC11H9NO5S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid
SMILESCOc1ccc(-c2sc(=O)[nH]c2O)cc1C(=O)O
InChIInChI=1S/C11H9NO5S/c1-17-7-3-2-5(4-6(7)10(14)15)8-9(13)12-11(16)18-8/h2-4,13H,1H3,(H,12,16)(H,14,15)
InChIKeyKRRDCXIGKPQNGL-UHFFFAOYSA-N
XLogP1.52
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid
CID 162638294
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
5-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 94701090
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
CID 114026544
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
2-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 70462111
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
5-(1-aminoethyl)-2-methoxybenzoic acid
CID 105448790
5-[4-(5-amino-4-hydrazinyl-6-oxo-1H-pyrimidin-2-yl)-3-ethoxyphenyl]-2-methoxybenzoic acid
CID 154661991

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid?
The IUPAC name of 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid (CID 54010039) is 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid?
The canonical SMILES for 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid is COc1ccc(-c2sc(=O)[nH]c2O)cc1C(=O)O.
What is the InChIKey of 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid?
The InChIKey is KRRDCXIGKPQNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5S/c1-17-7-3-2-5(4-6(7)10(14)15)8-9(13)12-11(16)18-8/h2-4,13H,1H3,(H,12,16)(H,14,15).
What are the key properties of 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid?
5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid has a molecular weight of 267.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 54010039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).