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

C18H16FN3O2S — CID 135581245

IUPAC(2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1
InChIInChI=1S/C18H16FN3O2S/c1-24-15-5-3-2-4-13(15)11-20-22-18-21-17(23)16(25-18)10-12-6-8-14(19)9-7-12/h2-9,11,16H,10H2,1H3,(H,21,22,23)/b20-11+
InChIKeyKRALAFVFXGMXQM-RGVLZGJSSA-N
MW357.41 g/mol
LogP3.00
Rot. Bonds5

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

(2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135581245) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135581245
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name(2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1
InChIInChI=1S/C18H16FN3O2S/c1-24-15-5-3-2-4-13(15)11-20-22-18-21-17(23)16(25-18)10-12-6-8-14(19)9-7-12/h2-9,11,16H,10H2,1H3,(H,21,22,23)/b20-11+
InChIKeyKRALAFVFXGMXQM-RGVLZGJSSA-N
XLogP3.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135581245) is (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1.
What is the InChIKey of (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KRALAFVFXGMXQM-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-24-15-5-3-2-4-13(15)11-20-22-18-21-17(23)16(25-18)10-12-6-8-14(19)9-7-12/h2-9,11,16H,10H2,1H3,(H,21,22,23)/b20-11+.
What are the key properties of (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 357.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135581245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).