(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

C18H15FN2O3S — CID 135506646

IUPAC(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(OC)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-14-8-3-11(15(10-14)24-2)9-16-17(22)21-18(25-16)20-13-6-4-12(19)5-7-13/h3-10H,1-2H3,(H,20,21,22)/b16-9+
InChIKeyUUOFLIYGLOGPNZ-CXUHLZMHSA-N
MW358.39 g/mol
LogP3.73
Rot. Bonds4

About (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135506646) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135506646
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(OC)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-14-8-3-11(15(10-14)24-2)9-16-17(22)21-18(25-16)20-13-6-4-12(19)5-7-13/h3-10H,1-2H3,(H,20,21,22)/b16-9+
InChIKeyUUOFLIYGLOGPNZ-CXUHLZMHSA-N
XLogP3.73
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 135506646) is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(OC)c1.
What is the InChIKey of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is UUOFLIYGLOGPNZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-23-14-8-3-11(15(10-14)24-2)9-16-17(22)21-18(25-16)20-13-6-4-12(19)5-7-13/h3-10H,1-2H3,(H,20,21,22)/b16-9+.
What are the key properties of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 358.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135506646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).