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

C18H16FN3OS — CID 135438807

IUPAC(2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CC1S/C(=N/N=C/c2ccccc2F)NC1=O
InChIInChI=1S/C18H16FN3OS/c1-12-6-2-3-7-13(12)10-16-17(23)21-18(24-16)22-20-11-14-8-4-5-9-15(14)19/h2-9,11,16H,10H2,1H3,(H,21,22,23)/b20-11+
InChIKeyWCLQZOYURLVRTC-RGVLZGJSSA-N
MW341.41 g/mol
LogP3.30
Rot. Bonds4

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

(2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135438807) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135438807
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name(2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CC1S/C(=N/N=C/c2ccccc2F)NC1=O
InChIInChI=1S/C18H16FN3OS/c1-12-6-2-3-7-13(12)10-16-17(23)21-18(24-16)22-20-11-14-8-4-5-9-15(14)19/h2-9,11,16H,10H2,1H3,(H,21,22,23)/b20-11+
InChIKeyWCLQZOYURLVRTC-RGVLZGJSSA-N
XLogP3.30
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.30
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
3-[(2-methylbenzyl)thio]-6-phenyl-1,2,4-triazin-5(4H)-one
CID 135471690
(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
Sdccgsbi-0087970.P001
CID 9586095
2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-methyl-1,3-thiazol-4-one
CID 135426041
Benzaldehyde, 2-fluoro-, (5-methyl-4-oxothiazolidin-2-ylideno)hydrazone
CID 135479852

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 135438807) is (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccccc1CC1S/C(=N/N=C/c2ccccc2F)NC1=O.
What is the InChIKey of (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is WCLQZOYURLVRTC-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-12-6-2-3-7-13(12)10-16-17(23)21-18(24-16)22-20-11-14-8-4-5-9-15(14)19/h2-9,11,16H,10H2,1H3,(H,21,22,23)/b20-11+.
What are the key properties of (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 341.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135438807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).