5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C24H16ClN3O2S — CID 135521991

IUPAC5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C(CC1SC(=NN=C2c3ccccc3-c3ccccc32)NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H16ClN3O2S/c25-15-11-9-14(10-12-15)20(29)13-21-23(30)26-24(31-21)28-27-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,21H,13H2,(H,26,28,30)
InChIKeyUUFIGRGWTKAUJU-UHFFFAOYSA-N
MW445.93 g/mol
LogP4.93
Rot. Bonds4

About 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135521991) has the molecular formula C24H16ClN3O2S and a molecular weight of 445.93 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135521991
Molecular FormulaC24H16ClN3O2S
Molecular Weight445.93 g/mol
Exact Mass445.07
IUPAC Name5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C(CC1SC(=NN=C2c3ccccc3-c3ccccc32)NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H16ClN3O2S/c25-15-11-9-14(10-12-15)20(29)13-21-23(30)26-24(31-21)28-27-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,21H,13H2,(H,26,28,30)
InChIKeyUUFIGRGWTKAUJU-UHFFFAOYSA-N
XLogP4.93
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(fluoren-9-ylidenehydrazinylidene)-5-phenacyl-1,3-thiazolidin-4-one
CID 135483358
(5S)-5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135956748
(2E)-5-phenacyl-2-[(Z)-[(Z)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135754176
(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
CID 7013183
(2E)-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135706868
5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135706945
(2Z)-5-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135757284
(2E)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-(cinnamylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135626186
5-benzyl-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184948
5-benzyl-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505620
N-(2-bromophenyl)-2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135747373
(2E)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135907437

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135521991) is 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C(CC1SC(=NN=C2c3ccccc3-c3ccccc32)NC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is UUFIGRGWTKAUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2S/c25-15-11-9-14(10-12-15)20(29)13-21-23(30)26-24(31-21)28-27-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,21H,13H2,(H,26,28,30).
What are the key properties of 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 445.93 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135521991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).