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

C23H17FN2O2S — CID 118732630

IUPAC(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O2S/c24-18-8-10-19(11-9-18)26-22(27)21(29-23(26)25)14-16-6-12-20(13-7-16)28-15-17-4-2-1-3-5-17/h1-14,25H,15H2/b21-14-,25-23-
InChIKeyWILYBPHREBNBKA-MZURAFEFSA-N
MW404.47 g/mol
LogP5.46
Rot. Bonds5

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

(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 118732630) has the molecular formula C23H17FN2O2S and a molecular weight of 404.47 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID118732630
Molecular FormulaC23H17FN2O2S
Molecular Weight404.47 g/mol
Exact Mass404.10
IUPAC Name(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O2S/c24-18-8-10-19(11-9-18)26-22(27)21(29-23(26)25)14-16-6-12-20(13-7-16)28-15-17-4-2-1-3-5-17/h1-14,25H,15H2/b21-14-,25-23-
InChIKeyWILYBPHREBNBKA-MZURAFEFSA-N
XLogP5.46
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.46
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

3-(4-Fluorophenyl)-2-imino-5-(4-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1361026
(5Z)-5-(3,4-dimethoxybenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16188481
(5E)-2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5291925
5-{4-[(2-Fluorobenzyl)oxy]-3-methoxybenzylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135404028
(Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 11315069
(Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237052
3-(4-Fluorophenyl)-5-(4-hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1258959
5-[[4-[(2-Fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1202678
2-Imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1256574
(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1826456
(4-{[4-Oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
CID 2254703
5-[[4-(Dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3761879

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 118732630) is (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is WILYBPHREBNBKA-MZURAFEFSA-N. The full InChI is InChI=1S/C23H17FN2O2S/c24-18-8-10-19(11-9-18)26-22(27)21(29-23(26)25)14-16-6-12-20(13-7-16)28-15-17-4-2-1-3-5-17/h1-14,25H,15H2/b21-14-,25-23-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 404.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118732630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).