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

C16H11FN2O2S — CID 1258959

IUPAC(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16-
InChIKeyAUFODJJUERTEJJ-BSYVZCAJSA-N
MW314.34 g/mol
LogP3.59
Rot. Bonds2

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

(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 1258959) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID1258959
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16-
InChIKeyAUFODJJUERTEJJ-BSYVZCAJSA-N
XLogP3.59
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluorophenyl)-2-imino-5-(4-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1361026
(5Z)-5-(3,4-dimethoxybenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16188481
5-Benzylidene-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135437758
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 24957033
(2E,5Z)-5-(4-(dimethylamino)benzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
CID 135498601
3-(4-Fluorophenyl)-5-(4-hydroxy-3-methoxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1360981
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 1591626
(Z,Z)-5-(4-Hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236807
(Z,Z)-5-(3-Fluoro-4-hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236808
(Z,Z)-5-(4-Hydroxy-3-methyl-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236809
(Z,Z)-5-(3-Hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236933
(E)-N-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 71560026

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 1258959) is (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is AUFODJJUERTEJJ-BSYVZCAJSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 314.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1258959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).