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

C22H15FN2O2S — CID 137034519

IUPAC(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H15FN2O2S/c23-16-9-11-17(12-10-16)24-22-25-21(26)20(28-22)14-15-5-4-8-19(13-15)27-18-6-2-1-3-7-18/h1-14H,(H,24,25,26)/b20-14+
InChIKeyUJTDWTJYUGJCMJ-XSFVSMFZSA-N
MW390.44 g/mol
LogP5.51
Rot. Bonds4

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

(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137034519) has the molecular formula C22H15FN2O2S and a molecular weight of 390.44 g/mol. Its IUPAC name is (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137034519
Molecular FormulaC22H15FN2O2S
Molecular Weight390.44 g/mol
Exact Mass390.08
IUPAC Name(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H15FN2O2S/c23-16-9-11-17(12-10-16)24-22-25-21(26)20(28-22)14-15-5-4-8-19(13-15)27-18-6-2-1-3-7-18/h1-14H,(H,24,25,26)/b20-14+
InChIKeyUJTDWTJYUGJCMJ-XSFVSMFZSA-N
XLogP5.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.51
H-Bond Donors ≤ 51
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)-2-(4-methylphenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063971
(5E)-2-(3-iodophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063025
(5E)-2-(4-fluorophenyl)imino-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137079886
(5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135868134
(5E)-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137080770
(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135761059
(5Z)-5-[(4-fluorophenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135602947
[3-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-fluorobenzoate
CID 137069601
3-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135723087
(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063495
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
(5E)-5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135642512

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137034519) is (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is UJTDWTJYUGJCMJ-XSFVSMFZSA-N. The full InChI is InChI=1S/C22H15FN2O2S/c23-16-9-11-17(12-10-16)24-22-25-21(26)20(28-22)14-15-5-4-8-19(13-15)27-18-6-2-1-3-7-18/h1-14H,(H,24,25,26)/b20-14+.
What are the key properties of (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 390.44 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137034519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).