4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide

C15H9FN2O2S3 — CID 4682964

IUPAC4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(NN1C(=O)C(=Cc2cccs2)SC1=S)c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O2S3/c16-10-5-3-9(4-6-10)13(19)17-18-14(20)12(23-15(18)21)8-11-2-1-7-22-11/h1-8H,(H,17,19)
InChIKeyDCNDCZBCNDKNSU-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.43
Rot. Bonds3

About 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide

4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide (PubChem CID 4682964) has the molecular formula C15H9FN2O2S3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide
PubChem CID4682964
Molecular FormulaC15H9FN2O2S3
Molecular Weight364.45 g/mol
Exact Mass363.98
IUPAC Name4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(NN1C(=O)C(=Cc2cccs2)SC1=S)c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O2S3/c16-10-5-3-9(4-6-10)13(19)17-18-14(20)12(23-15(18)21)8-11-2-1-7-22-11/h1-8H,(H,17,19)
InChIKeyDCNDCZBCNDKNSU-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide (CID 4682964) is 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide is O=C(NN1C(=O)C(=Cc2cccs2)SC1=S)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is DCNDCZBCNDKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2S3/c16-10-5-3-9(4-6-10)13(19)17-18-14(20)12(23-15(18)21)8-11-2-1-7-22-11/h1-8H,(H,17,19).
What are the key properties of 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide?
4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 4682964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).