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

C11H9FN2O3S — CID 645813

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)Nc1ccccc1F
InChIInChI=1S/C11H9FN2O3S/c12-7-3-1-2-4-8(7)13-9(15)5-14-10(16)6-18-11(14)17/h1-4H,5-6H2,(H,13,15)
InChIKeyLRWRYVCRXIZHKP-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.46
Rot. Bonds3

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

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 645813) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide
PubChem CID645813
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)Nc1ccccc1F
InChIInChI=1S/C11H9FN2O3S/c12-7-3-1-2-4-8(7)13-9(15)5-14-10(16)6-18-11(14)17/h1-4H,5-6H2,(H,13,15)
InChIKeyLRWRYVCRXIZHKP-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-3-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide (CID 645813) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide is O=C(CN1C(=O)CSC1=O)Nc1ccccc1F.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is LRWRYVCRXIZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c12-7-3-1-2-4-8(7)13-9(15)5-14-10(16)6-18-11(14)17/h1-4H,5-6H2,(H,13,15).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 268.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 645813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).