2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide

C17H13FN2O4S — CID 126208243

IUPAC2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCc1ccco1
InChIInChI=1S/C17H13FN2O4S/c18-12-5-3-11(4-6-12)8-14-16(22)20(17(23)25-14)10-15(21)19-9-13-2-1-7-24-13/h1-8H,9-10H2,(H,19,21)/b14-8-
InChIKeyNQRODSOCUUFSNT-ZSOIEALJSA-N
MW360.37 g/mol
LogP2.77
Rot. Bonds5

About 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide

2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 126208243) has the molecular formula C17H13FN2O4S and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID126208243
Molecular FormulaC17H13FN2O4S
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Name2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCc1ccco1
InChIInChI=1S/C17H13FN2O4S/c18-12-5-3-11(4-6-12)8-14-16(22)20(17(23)25-14)10-15(21)19-9-13-2-1-7-24-13/h1-8H,9-10H2,(H,19,21)/b14-8-
InChIKeyNQRODSOCUUFSNT-ZSOIEALJSA-N
XLogP2.77
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 27409969
N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632035
2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 16627045
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 16631973
2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 126379085
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 8502754
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 30843712
2-(2-bromophenyl)-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 72687024
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 4812381
2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 42814442
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 7641149

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 126208243) is 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCc1ccco1.
What is the InChIKey of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NQRODSOCUUFSNT-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H13FN2O4S/c18-12-5-3-11(4-6-12)8-14-16(22)20(17(23)25-14)10-15(21)19-9-13-2-1-7-24-13/h1-8H,9-10H2,(H,19,21)/b14-8-.
What are the key properties of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 126208243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).