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

C28H20ClNO2S — CID 5470252

IUPAC(5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccccc1Cl
InChIInChI=1S/C28H20ClNO2S/c29-24-16-7-8-17-25(24)30-27(31)26(33-28(30)21-11-3-1-4-12-21)19-20-10-9-15-23(18-20)32-22-13-5-2-6-14-22/h1-19,28H/b26-19+
InChIKeyZEAPLOFTXZKOMI-LGUFXXKBSA-N
MW469.99 g/mol
LogP7.95
Rot. Bonds5

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

(5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 5470252) has the molecular formula C28H20ClNO2S and a molecular weight of 469.99 g/mol. Its IUPAC name is (5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID5470252
Molecular FormulaC28H20ClNO2S
Molecular Weight469.99 g/mol
Exact Mass469.09
IUPAC Name(5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccccc1Cl
InChIInChI=1S/C28H20ClNO2S/c29-24-16-7-8-17-25(24)30-27(31)26(33-28(30)21-11-3-1-4-12-21)19-20-10-9-15-23(18-20)32-22-13-5-2-6-14-22/h1-19,28H/b26-19+
InChIKeyZEAPLOFTXZKOMI-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'}

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Related Compounds

(5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 5470253
(5Z)-3-(3-nitrophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 6477599
N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 6477601
(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-chlorophenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 5470273
(5Z)-3-methyl-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6988232
(5E)-3-(3-chloro-4-fluorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126186800
(5E)-3-(2-methoxyphenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 5470277
(5Z)-3-(2-methylpropyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2145785
2-[3-[(E)-[3-(2-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid
CID 43862283
3-[(4-methylphenyl)methyl]-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2926186
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-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one (CID 5470252) is (5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one is O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccccc1Cl.
What is the InChIKey of (5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is ZEAPLOFTXZKOMI-LGUFXXKBSA-N. The full InChI is InChI=1S/C28H20ClNO2S/c29-24-16-7-8-17-25(24)30-27(31)26(33-28(30)21-11-3-1-4-12-21)19-20-10-9-15-23(18-20)32-22-13-5-2-6-14-22/h1-19,28H/b26-19+.
What are the key properties of (5E)-3-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one?
(5E)-3-(2-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-(2-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5470252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).