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

C18H15ClFN3OS — CID 135473243

IUPAC(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3OS/c1-11(13-4-6-14(19)7-5-13)22-23-18-21-17(24)16(25-18)10-12-2-8-15(20)9-3-12/h2-9,16H,10H2,1H3,(H,21,23,24)/b22-11-
InChIKeyGRYHSJNMADRUOA-JJFYIABZSA-N
MW375.86 g/mol
LogP4.03
Rot. Bonds4

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

(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135473243) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135473243
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC Name(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3OS/c1-11(13-4-6-14(19)7-5-13)22-23-18-21-17(24)16(25-18)10-12-2-8-15(20)9-3-12/h2-9,16H,10H2,1H3,(H,21,23,24)/b22-11-
InChIKeyGRYHSJNMADRUOA-JJFYIABZSA-N
XLogP4.03
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.03
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

(Z)-5-benzyl-2-((E)-(1-phenylethylidene)hydrazono)thiazolidin-4-one
CID 135472832
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one
CID 122194399
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 137028474
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137028475
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 137028476
(2Z)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509611
5-(4-Chlorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-fluorophenyl)ethylidene]hydrazone}
CID 135473260
Benzaldehyde (5-(3,4-dichlorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135645362
(2E)-2-[(E)-1-(2,5-dichlorophenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 172452706
4-Chlorobenzaldehyde [5-(4-fluorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135473251
5-[3-(Trifluoromethyl)benzyl]-1,3-thiazolidine-2,4-dione 2-{[1-(4-fluorophenyl)ethylidene]hydrazone}
CID 135473257
2-Chlorobenzaldehyde [5-(4-fluorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135473281

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135473243) is (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is C/C(=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1.
What is the InChIKey of (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is GRYHSJNMADRUOA-JJFYIABZSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c1-11(13-4-6-14(19)7-5-13)22-23-18-21-17(24)16(25-18)10-12-2-8-15(20)9-3-12/h2-9,16H,10H2,1H3,(H,21,23,24)/b22-11-.
What are the key properties of (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 375.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).