N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide

C13H13FN2O3S2 — CID 4794340

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H13FN2O3S2/c14-9-3-1-2-4-10(9)20-7-11(17)15-5-6-16-12(18)8-21-13(16)19/h1-4H,5-8H2,(H,15,17)
InChIKeyQWGDYCXXXQKLNX-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 4794340) has the molecular formula C13H13FN2O3S2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID4794340
Molecular FormulaC13H13FN2O3S2
Molecular Weight328.39 g/mol
Exact Mass328.04
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H13FN2O3S2/c14-9-3-1-2-4-10(9)20-7-11(17)15-5-6-16-12(18)8-21-13(16)19/h1-4H,5-8H2,(H,15,17)
InChIKeyQWGDYCXXXQKLNX-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
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 N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 4794340) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)NCCN1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is QWGDYCXXXQKLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S2/c14-9-3-1-2-4-10(9)20-7-11(17)15-5-6-16-12(18)8-21-13(16)19/h1-4H,5-8H2,(H,15,17).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 328.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 4794340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).