2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide

C13H13FN2O2S3 — CID 7484552

IUPAC2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSc1ccccc1F)NCCN1C(=O)CSC1=S
InChIInChI=1S/C13H13FN2O2S3/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)
InChIKeyKWCPRUYXSOSPLO-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.89
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 7484552) has the molecular formula C13H13FN2O2S3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID7484552
Molecular FormulaC13H13FN2O2S3
Molecular Weight344.46 g/mol
Exact Mass344.01
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSc1ccccc1F)NCCN1C(=O)CSC1=S
InChIInChI=1S/C13H13FN2O2S3/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)
InChIKeyKWCPRUYXSOSPLO-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 7484552) is 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide is O=C(CSc1ccccc1F)NCCN1C(=O)CSC1=S.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is KWCPRUYXSOSPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S3/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 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 7484552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).