(5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

C18H12FNO3S — CID 6448824

IUPAC(5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)c1ccccc1
InChIInChI=1S/C18H12FNO3S/c19-14-8-4-5-12(9-14)10-16-17(22)20(18(23)24-16)11-15(21)13-6-2-1-3-7-13/h1-10H,11H2/b16-10+
InChIKeyBROYDCLOXVZVOZ-MHWRWJLKSA-N
MW341.36 g/mol
LogP3.74
Rot. Bonds4

About (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

(5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 6448824) has the molecular formula C18H12FNO3S and a molecular weight of 341.36 g/mol. Its IUPAC name is (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID6448824
Molecular FormulaC18H12FNO3S
Molecular Weight341.36 g/mol
Exact Mass341.05
IUPAC Name(5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)c1ccccc1
InChIInChI=1S/C18H12FNO3S/c19-14-8-4-5-12(9-14)10-16-17(22)20(18(23)24-16)11-15(21)13-6-2-1-3-7-13/h1-10H,11H2/b16-10+
InChIKeyBROYDCLOXVZVOZ-MHWRWJLKSA-N
XLogP3.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (CID 6448824) is (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)c1ccccc1.
What is the InChIKey of (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is BROYDCLOXVZVOZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H12FNO3S/c19-14-8-4-5-12(9-14)10-16-17(22)20(18(23)24-16)11-15(21)13-6-2-1-3-7-13/h1-10H,11H2/b16-10+.
What are the key properties of (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 341.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6448824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).