3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid

C17H15NO4S — CID 3445359

IUPAC3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
SMILESCOc1ccc(C2SCC(=O)N2c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C17H15NO4S/c1-22-14-7-5-11(6-8-14)16-18(15(19)10-23-16)13-4-2-3-12(9-13)17(20)21/h2-9,16H,10H2,1H3,(H,20,21)
InChIKeyRZXLXYBJMSQEIF-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.17
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid

3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid (PubChem CID 3445359) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
PubChem CID3445359
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
SMILESCOc1ccc(C2SCC(=O)N2c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C17H15NO4S/c1-22-14-7-5-11(6-8-14)16-18(15(19)10-23-16)13-4-2-3-12(9-13)17(20)21/h2-9,16H,10H2,1H3,(H,20,21)
InChIKeyRZXLXYBJMSQEIF-UHFFFAOYSA-N
XLogP3.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
4-methoxy-N-[4-[(2R)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127065
3-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3288401
3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804066
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
3-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842579
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
4-methoxy-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127088
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125382

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid?
The IUPAC name of 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid (CID 3445359) is 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid is COc1ccc(C2SCC(=O)N2c2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid?
The InChIKey is RZXLXYBJMSQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-22-14-7-5-11(6-8-14)16-18(15(19)10-23-16)13-4-2-3-12(9-13)17(20)21/h2-9,16H,10H2,1H3,(H,20,21).
What are the key properties of 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid?
3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid has a molecular weight of 329.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid is sourced from PubChem (CID 3445359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).