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

C18H16FN3OS — CID 135447171

IUPAC2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CC1SC(=NN=Cc2ccccc2F)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)
InChIKeyWCLQZOYURLVRTC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.30
Rot. Bonds4

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

2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135447171) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135447171
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CC1SC(=NN=Cc2ccccc2F)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)
InChIKeyWCLQZOYURLVRTC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 135447171) is 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccccc1CC1SC(=NN=Cc2ccccc2F)NC1=O.
What is the InChIKey of 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is WCLQZOYURLVRTC-UHFFFAOYSA-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).
What are the key properties of 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
2-[(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 2-[(2-fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135447171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).