4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid

C13H14N2O5S — CID 63744787

IUPAC4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)CN1CSCC1=O
InChIInChI=1S/C13H14N2O5S/c1-20-10-3-2-8(13(18)19)4-9(10)14-11(16)5-15-7-21-6-12(15)17/h2-4H,5-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyPJWKYQAZYGBJFB-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.86
Rot. Bonds5

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

4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid (PubChem CID 63744787) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
PubChem CID63744787
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)CN1CSCC1=O
InChIInChI=1S/C13H14N2O5S/c1-20-10-3-2-8(13(18)19)4-9(10)14-11(16)5-15-7-21-6-12(15)17/h2-4H,5-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyPJWKYQAZYGBJFB-UHFFFAOYSA-N
XLogP0.86
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26094914
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
N-(2-chloro-4,5-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18139959
N-(3,5-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9096790
4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63744788
3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 82811304
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483391
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 33372160
N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686607
N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
CID 9374401
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid (CID 63744787) is 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid is COc1ccc(C(=O)O)cc1NC(=O)CN1CSCC1=O.
What is the InChIKey of 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The InChIKey is PJWKYQAZYGBJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-20-10-3-2-8(13(18)19)4-9(10)14-11(16)5-15-7-21-6-12(15)17/h2-4H,5-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid has a molecular weight of 310.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 63744787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).