(2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide

C13H15FN4OS — CID 6223188

IUPAC(2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
SMILESNC(=S)/C(=N\Nc1ccccc1F)C(=O)N1CCCC1
InChIInChI=1S/C13H15FN4OS/c14-9-5-1-2-6-10(9)16-17-11(12(15)20)13(19)18-7-3-4-8-18/h1-2,5-6,16H,3-4,7-8H2,(H2,15,20)/b17-11+
InChIKeyNCHFEWLAFVTQRZ-GZTJUZNOSA-N
MW294.35 g/mol
LogP1.50
Rot. Bonds4

About (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide

(2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide (PubChem CID 6223188) has the molecular formula C13H15FN4OS and a molecular weight of 294.35 g/mol. Its IUPAC name is (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide.

Molecular Properties

Compound Name(2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
PubChem CID6223188
Molecular FormulaC13H15FN4OS
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name(2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
SMILESNC(=S)/C(=N\Nc1ccccc1F)C(=O)N1CCCC1
InChIInChI=1S/C13H15FN4OS/c14-9-5-1-2-6-10(9)16-17-11(12(15)20)13(19)18-7-3-4-8-18/h1-2,5-6,16H,3-4,7-8H2,(H2,15,20)/b17-11+
InChIKeyNCHFEWLAFVTQRZ-GZTJUZNOSA-N
XLogP1.50
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The IUPAC name of (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide (CID 6223188) is (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide.
What is the SMILES notation for (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The canonical SMILES for (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is NC(=S)/C(=N\Nc1ccccc1F)C(=O)N1CCCC1.
What is the InChIKey of (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The InChIKey is NCHFEWLAFVTQRZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C13H15FN4OS/c14-9-5-1-2-6-10(9)16-17-11(12(15)20)13(19)18-7-3-4-8-18/h1-2,5-6,16H,3-4,7-8H2,(H2,15,20)/b17-11+.
What are the key properties of (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
(2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide has a molecular weight of 294.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is sourced from PubChem (CID 6223188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).