(5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one

C28H20ClNO2S — CID 5470253

IUPAC(5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C28H20ClNO2S/c29-22-14-16-23(17-15-22)30-27(31)26(33-28(30)21-9-3-1-4-10-21)19-20-8-7-13-25(18-20)32-24-11-5-2-6-12-24/h1-19,28H/b26-19+
InChIKeyFNCQMTQAJVNPLQ-LGUFXXKBSA-N
MW469.99 g/mol
LogP7.95
Rot. Bonds5

About (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one

(5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 5470253) has the molecular formula C28H20ClNO2S and a molecular weight of 469.99 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID5470253
Molecular FormulaC28H20ClNO2S
Molecular Weight469.99 g/mol
Exact Mass469.09
IUPAC Name(5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C28H20ClNO2S/c29-22-14-16-23(17-15-22)30-27(31)26(33-28(30)21-9-3-1-4-10-21)19-20-8-7-13-25(18-20)32-24-11-5-2-6-12-24/h1-19,28H/b26-19+
InChIKeyFNCQMTQAJVNPLQ-LGUFXXKBSA-N
XLogP7.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.99
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 5470252
N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 6477601
(5Z)-3-(3-nitrophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 6477599
ethyl 4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzoate
CID 86294187
(2R,5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 40850940
(2S,5E)-2-(4-chlorophenyl)-3-(4-methylphenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 40871901
(2S,5E)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 40871906
(5E)-3-(3-chlorophenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 5470273
(5Z)-5-[(3-phenoxyphenyl)methylidene]-1,2,3,3a-tetrahydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 156591774
(5E)-3-(3-chloro-4-fluorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126186800
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
N-(4-chlorophenyl)-2-[(5E)-2,4-dioxo-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 16627115

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one (CID 5470253) is (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one is O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is FNCQMTQAJVNPLQ-LGUFXXKBSA-N. The full InChI is InChI=1S/C28H20ClNO2S/c29-22-14-16-23(17-15-22)30-27(31)26(33-28(30)21-9-3-1-4-10-21)19-20-8-7-13-25(18-20)32-24-11-5-2-6-12-24/h1-19,28H/b26-19+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one?
(5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 469.99 g/mol, XLogP of 7.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5470253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).