(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C17H14FN3OS — CID 135473242

IUPAC(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccccc2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C17H14FN3OS/c18-14-8-6-12(7-9-14)10-15-16(22)20-17(23-15)21-19-11-13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,20,21,22)/b19-11+
InChIKeyNGZPQDUZMIUVIC-YBFXNURJSA-N
MW327.38 g/mol
LogP2.99
Rot. Bonds4

About (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135473242) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135473242
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccccc2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C17H14FN3OS/c18-14-8-6-12(7-9-14)10-15-16(22)20-17(23-15)21-19-11-13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,20,21,22)/b19-11+
InChIKeyNGZPQDUZMIUVIC-YBFXNURJSA-N
XLogP2.99
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.99
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

2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-5-phenyl-1,3-thiazol-4(5H)-one
CID 135650471
Benzaldehyde, (4,5-dihydro-5-methyl-4-oxo-2-thiazolyl)hydrazone
CID 135438845
4-Fluorobenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-YL)hydrazone
CID 135631924
3-Benzylsulfanyl-6-phenyl-4H-[1,2,4]triazin-5-one
CID 135430115
(2E)-2-[(E)-(3-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066072
(Z)-5-benzyl-2-((E)-(1-phenylethylidene)hydrazono)thiazolidin-4-one
CID 135472832
5-[3-(Trifluoromethyl)benzyl]-1,3-thiazolidine-2,4-dione 2-{[1-(4-methylphenyl)ethylidene]hydrazone}
CID 135473246
(2E)-2-{(2E)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-5-[3-(trifluoromethyl)benzyl]-1,3-thiazolidin-4-one
CID 135645320
(2Z)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 155511131
(2E)-5-benzyl-2-[(Z)-benzylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5829830
Benzaldehyde (4-oxo-5,5-diphenyl-1,3-thiazolidin-2-ylidene)hydrazone
CID 135478440
(E)-5-allyl-2-((E)-benzylidenehydrazono)thiazolidin-4-one
CID 135599583

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135473242) is (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C/c2ccccc2)SC1Cc1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is NGZPQDUZMIUVIC-YBFXNURJSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-14-8-6-12(7-9-14)10-15-16(22)20-17(23-15)21-19-11-13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,20,21,22)/b19-11+.
What are the key properties of (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).