(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

C20H16FN3O2S — CID 155511131

IUPAC(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N\N=C\C=C\c2ccccc2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2S/c21-16-10-8-15(9-11-16)17(25)13-18-19(26)23-20(27-18)24-22-12-4-7-14-5-2-1-3-6-14/h1-12,18H,13H2,(H,23,24,26)/b7-4+,22-12+
InChIKeySEPSKUAIUAJEKI-XJLPLWBLSA-N
MW381.43 g/mol
LogP3.69
Rot. Bonds6

About (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 155511131) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID155511131
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N\N=C\C=C\c2ccccc2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2S/c21-16-10-8-15(9-11-16)17(25)13-18-19(26)23-20(27-18)24-22-12-4-7-14-5-2-1-3-6-14/h1-12,18H,13H2,(H,23,24,26)/b7-4+,22-12+
InChIKeySEPSKUAIUAJEKI-XJLPLWBLSA-N
XLogP3.69
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (CID 155511131) is (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is O=C(CC1S/C(=N\N=C\C=C\c2ccccc2)NC1=O)c1ccc(F)cc1.
What is the InChIKey of (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SEPSKUAIUAJEKI-XJLPLWBLSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-16-10-8-15(9-11-16)17(25)13-18-19(26)23-20(27-18)24-22-12-4-7-14-5-2-1-3-6-14/h1-12,18H,13H2,(H,23,24,26)/b7-4+,22-12+.
What are the key properties of (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 381.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155511131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).