(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H10FN3OS — CID 135743595

IUPAC(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)CS1)c1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS/c1-7(8-2-4-9(12)5-3-8)14-15-11-13-10(16)6-17-11/h2-5H,6H2,1H3,(H,13,15,16)/b14-7+
InChIKeyMXUODIHNXLQOAV-VGOFMYFVSA-N
MW251.29 g/mol
LogP1.77
Rot. Bonds2

About (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135743595) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135743595
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)CS1)c1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS/c1-7(8-2-4-9(12)5-3-8)14-15-11-13-10(16)6-17-11/h2-5H,6H2,1H3,(H,13,15,16)/b14-7+
InChIKeyMXUODIHNXLQOAV-VGOFMYFVSA-N
XLogP1.77
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100920
2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172943379
(2Z)-2-(1-thiophen-2-ylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135760177
(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100903
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135498282
(2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135996955
(2E)-2-[(Z)-1-(2-bromo-4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137014977
(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137167956
(2Z)-2-(1-cyclohexylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137190321
acetic acid;N-(4-fluorophenyl)-2-[(E)-1-(4-hydroxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 137226816
[4-fluoro-2-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574608

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135743595) is (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1\NC(=O)CS1)c1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MXUODIHNXLQOAV-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7(8-2-4-9(12)5-3-8)14-15-11-13-10(16)6-17-11/h2-5H,6H2,1H3,(H,13,15,16)/b14-7+.
What are the key properties of (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 251.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135743595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).