3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid

C12H10Cl2N2O4S — CID 82811304

IUPAC3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CSCC1=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C12H10Cl2N2O4S/c13-7-1-6(12(19)20)2-8(14)11(7)15-9(17)3-16-5-21-4-10(16)18/h1-2H,3-5H2,(H,15,17)(H,19,20)
InChIKeyGIBMFZVQSJYKJB-UHFFFAOYSA-N
MW349.20 g/mol
LogP2.16
Rot. Bonds4

About 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid

3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid (PubChem CID 82811304) has the molecular formula C12H10Cl2N2O4S and a molecular weight of 349.20 g/mol. Its IUPAC name is 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
PubChem CID82811304
Molecular FormulaC12H10Cl2N2O4S
Molecular Weight349.20 g/mol
Exact Mass347.97
IUPAC Name3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CSCC1=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C12H10Cl2N2O4S/c13-7-1-6(12(19)20)2-8(14)11(7)15-9(17)3-16-5-21-4-10(16)18/h1-2H,3-5H2,(H,15,17)(H,19,20)
InChIKeyGIBMFZVQSJYKJB-UHFFFAOYSA-N
XLogP2.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512699
N-(2-chloro-4,5-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18139959
4-methoxy-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 63744787
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8834284
3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 43153756
4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
CID 82830709
N-(3,5-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9096790
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 26288888
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26094914
2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 103791471

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid (CID 82811304) is 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid is O=C(CN1CSCC1=O)Nc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The InChIKey is GIBMFZVQSJYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4S/c13-7-1-6(12(19)20)2-8(14)11(7)15-9(17)3-16-5-21-4-10(16)18/h1-2H,3-5H2,(H,15,17)(H,19,20).
What are the key properties of 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid has a molecular weight of 349.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 82811304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).