2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

C19H23FN4O2S — CID 135426268

IUPAC2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESC/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccccc2F)S1)C1CCCCC1
InChIInChI=1S/C19H23FN4O2S/c1-12(13-7-3-2-4-8-13)23-24-19-22-18(26)16(27-19)11-17(25)21-15-10-6-5-9-14(15)20/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3,(H,21,25)(H,22,24,26)/b23-12+
InChIKeyGYLGTWRSLHUBBU-FSJBWODESA-N
MW390.48 g/mol
LogP3.70
Rot. Bonds5

About 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 135426268) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID135426268
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESC/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccccc2F)S1)C1CCCCC1
InChIInChI=1S/C19H23FN4O2S/c1-12(13-7-3-2-4-8-13)23-24-19-22-18(26)16(27-19)11-17(25)21-15-10-6-5-9-14(15)20/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3,(H,21,25)(H,22,24,26)/b23-12+
InChIKeyGYLGTWRSLHUBBU-FSJBWODESA-N
XLogP3.70
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
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 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 135426268) is 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccccc2F)S1)C1CCCCC1.
What is the InChIKey of 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is GYLGTWRSLHUBBU-FSJBWODESA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-12(13-7-3-2-4-8-13)23-24-19-22-18(26)16(27-19)11-17(25)21-15-10-6-5-9-14(15)20/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3,(H,21,25)(H,22,24,26)/b23-12+.
What are the key properties of 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 390.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 135426268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).