2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid

C16H12N2O4S — CID 2830891

IUPAC2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H12N2O4S/c19-14-13(17-12-9-5-4-8-11(12)15(20)21)23-16(22)18(14)10-6-2-1-3-7-10/h1-9,13,17H,(H,20,21)
InChIKeyNKAPDFVOPLTJOG-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.02
Rot. Bonds4

About 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid

2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid (PubChem CID 2830891) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid
PubChem CID2830891
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H12N2O4S/c19-14-13(17-12-9-5-4-8-11(12)15(20)21)23-16(22)18(14)10-6-2-1-3-7-10/h1-9,13,17H,(H,20,21)
InChIKeyNKAPDFVOPLTJOG-UHFFFAOYSA-N
XLogP3.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid?
The IUPAC name of 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid (CID 2830891) is 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid?
The canonical SMILES for 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid is O=C(O)c1ccccc1NC1SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid?
The InChIKey is NKAPDFVOPLTJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-14-13(17-12-9-5-4-8-11(12)15(20)21)23-16(22)18(14)10-6-2-1-3-7-10/h1-9,13,17H,(H,20,21).
What are the key properties of 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid?
2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid has a molecular weight of 328.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid is sourced from PubChem (CID 2830891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).