5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C24H28N2O2S — CID 135400669

IUPAC5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCCCCCCCOc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1
InChIInChI=1S/C24H28N2O2S/c1-2-3-4-5-6-10-17-28-21-15-13-19(14-16-21)18-22-23(27)26-24(29-22)25-20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17H2,1H3,(H,25,26,27)
InChIKeyKXWPCZJTLIEMJP-UHFFFAOYSA-N
MW408.57 g/mol
LogP6.32
Rot. Bonds10

About 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135400669) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135400669
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCCCCCCCOc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1
InChIInChI=1S/C24H28N2O2S/c1-2-3-4-5-6-10-17-28-21-15-13-19(14-16-21)18-22-23(27)26-24(29-22)25-20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17H2,1H3,(H,25,26,27)
InChIKeyKXWPCZJTLIEMJP-UHFFFAOYSA-N
XLogP6.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-(3-chlorophenyl)imino-5-[(4-octoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135535295
5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135420449
(5E)-5-[(4-octoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135441142
2-(2-methylphenyl)imino-5-[(4-octoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135416660
2-(2-ethoxyphenyl)imino-5-[(4-octoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135526303
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
2-[4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 135841235
(5Z)-2-(2-fluorophenyl)imino-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137162394
(5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137035916
(5Z)-2-(4-butylphenyl)imino-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135507964
[4-[(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 135492730
(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137065155

Frequently Asked Questions

What is the IUPAC name of 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135400669) is 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CCCCCCCCOc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1.
What is the InChIKey of 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is KXWPCZJTLIEMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-2-3-4-5-6-10-17-28-21-15-13-19(14-16-21)18-22-23(27)26-24(29-22)25-20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17H2,1H3,(H,25,26,27).
What are the key properties of 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 408.57 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135400669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).