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

C16H11FN2O2S — CID 135498609

IUPAC(5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2S/c17-11-3-1-10(2-4-11)9-14-15(21)19-16(22-14)18-12-5-7-13(20)8-6-12/h1-9,20H,(H,18,19,21)/b14-9-
InChIKeyLLUMNGYZNNWFCM-ZROIWOOFSA-N
MW314.34 g/mol
LogP3.42
Rot. Bonds2

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

(5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135498609) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135498609
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name(5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2S/c17-11-3-1-10(2-4-11)9-14-15(21)19-16(22-14)18-12-5-7-13(20)8-6-12/h1-9,20H,(H,18,19,21)/b14-9-
InChIKeyLLUMNGYZNNWFCM-ZROIWOOFSA-N
XLogP3.42
TPSA61.69 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 ≤ 53.42
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

(2E,5Z)-2-((4-methoxyphenyl)imino)-5-((E)-3-phenylallylidene)thiazolidin-4-one
CID 135418650
5-Benzylidene-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135437758
(2E,5Z)-5-(4-(dimethylamino)benzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
CID 135498601
2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135435921
3-(4-Fluorophenyl)-5-(4-hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1258959
(5Z)-2-(4-hydroxy-N-methylanilino)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazol-4-one
CID 1181853
(Z,Z)-5-(3-Fluoro-4-hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236808
(5Z)-5-(4-hydroxybenzylidene)-2-(phenylamino)-1,3-thiazol-4(5H)-one
CID 135435823
2-[(4-Methoxyphenyl)imino]-5-(3-phenyl-2-propen-1-ylidene)-1,3-thiazolidin-4-one
CID 135460598
5-[2-(4-Fluorophenyl)-2-oxoethyl]-2-[(4-hydroxyphenyl)azamethylene]-1,3-thiazo lidin-4-one
CID 135478983
(5E)-2-(benzylamino)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 135486338
5-(4-Chlorobenzylidene)-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135492157

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 135498609) is (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(F)cc1.
What is the InChIKey of (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LLUMNGYZNNWFCM-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-11-3-1-10(2-4-11)9-14-15(21)19-16(22-14)18-12-5-7-13(20)8-6-12/h1-9,20H,(H,18,19,21)/b14-9-.
What are the key properties of (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 314.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135498609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).