2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide

C12H12N2O4S — CID 2892994

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C12H12N2O4S/c1-18-8-4-2-7(3-5-8)13-10(15)6-9-11(16)14-12(17)19-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyFGZVZXHVLOQRLE-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.38
Rot. Bonds4

About 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 2892994) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID2892994
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C12H12N2O4S/c1-18-8-4-2-7(3-5-8)13-10(15)6-9-11(16)14-12(17)19-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyFGZVZXHVLOQRLE-UHFFFAOYSA-N
XLogP1.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.38
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-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide (CID 2892994) is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is FGZVZXHVLOQRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-18-8-4-2-7(3-5-8)13-10(15)6-9-11(16)14-12(17)19-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,17).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 1.38, 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-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2892994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).