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

C12H12N2O3S — CID 18807696

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)C1SC(=O)NC1=O
InChIInChI=1S/C12H12N2O3S/c1-7(9-11(16)14-12(17)18-9)10(15)13-8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,15)(H,14,16,17)
InChIKeyRCJWCZNSNZPGCD-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.61
Rot. Bonds3

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

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide (PubChem CID 18807696) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
PubChem CID18807696
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)C1SC(=O)NC1=O
InChIInChI=1S/C12H12N2O3S/c1-7(9-11(16)14-12(17)18-9)10(15)13-8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,15)(H,14,16,17)
InChIKeyRCJWCZNSNZPGCD-UHFFFAOYSA-N
XLogP1.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenylpropanamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide (CID 18807696) is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)C1SC(=O)NC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide?
The InChIKey is RCJWCZNSNZPGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-7(9-11(16)14-12(17)18-9)10(15)13-8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,15)(H,14,16,17).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide?
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide has a molecular weight of 264.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide is sourced from PubChem (CID 18807696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).