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

C17H11F3N2O2S — CID 6513598

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)11-2-1-3-12(9-11)22-15(24)14(25-16(22)21)8-10-4-6-13(23)7-5-10/h1-9,21,23H/b14-8-,21-16-
InChIKeyQTDJSLJMVBOURU-LLLVQABBSA-N
MW364.35 g/mol
LogP4.47
Rot. Bonds2

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

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 6513598) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID6513598
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)11-2-1-3-12(9-11)22-15(24)14(25-16(22)21)8-10-4-6-13(23)7-5-10/h1-9,21,23H/b14-8-,21-16-
InChIKeyQTDJSLJMVBOURU-LLLVQABBSA-N
XLogP4.47
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.47
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

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2046483
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633532
(5Z)-5-[(4-hydroxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 5498118
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 18840568
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
(5E)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 92948054
(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633567
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 1354925
5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 1354707
(5Z)-5-benzylidene-3-(3,4-dichlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633608
(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633566

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 6513598) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is QTDJSLJMVBOURU-LLLVQABBSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c18-17(19,20)11-2-1-3-12(9-11)22-15(24)14(25-16(22)21)8-10-4-6-13(23)7-5-10/h1-9,21,23H/b14-8-,21-16-.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 364.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6513598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).