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

C11H7F3N2O3S — CID 648553

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H7F3N2O3S/c12-5-1-2-6(10(14)9(5)13)15-7(17)3-16-8(18)4-20-11(16)19/h1-2H,3-4H2,(H,15,17)
InChIKeyLIUSCLYEBGVJRP-UHFFFAOYSA-N
MW304.25 g/mol
LogP1.74
Rot. Bonds3

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

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 648553) has the molecular formula C11H7F3N2O3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID648553
Molecular FormulaC11H7F3N2O3S
Molecular Weight304.25 g/mol
Exact Mass304.01
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H7F3N2O3S/c12-5-1-2-6(10(14)9(5)13)15-7(17)3-16-8(18)4-20-11(16)19/h1-2H,3-4H2,(H,15,17)
InChIKeyLIUSCLYEBGVJRP-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 648553) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN1C(=O)CSC1=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is LIUSCLYEBGVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3S/c12-5-1-2-6(10(14)9(5)13)15-7(17)3-16-8(18)4-20-11(16)19/h1-2H,3-4H2,(H,15,17).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 304.25 g/mol, XLogP of 1.74, 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-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 648553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).