2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide

C7H7FN2OS — CID 82147300

IUPAC2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide
SMILESNC(=S)Cn1cc(F)ccc1=O
InChIInChI=1S/C7H7FN2OS/c8-5-1-2-7(11)10(3-5)4-6(9)12/h1-3H,4H2,(H2,9,12)
InChIKeyLYQNZPXQIFSLQR-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.27
Rot. Bonds2

About 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide

2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide (PubChem CID 82147300) has the molecular formula C7H7FN2OS and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide
PubChem CID82147300
Molecular FormulaC7H7FN2OS
Molecular Weight186.21 g/mol
Exact Mass186.03
IUPAC Name2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide
SMILESNC(=S)Cn1cc(F)ccc1=O
InChIInChI=1S/C7H7FN2OS/c8-5-1-2-7(11)10(3-5)4-6(9)12/h1-3H,4H2,(H2,9,12)
InChIKeyLYQNZPXQIFSLQR-UHFFFAOYSA-N
XLogP0.27
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide?
The IUPAC name of 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide (CID 82147300) is 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide.
What is the SMILES notation for 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide?
The canonical SMILES for 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide is NC(=S)Cn1cc(F)ccc1=O.
What is the InChIKey of 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide?
The InChIKey is LYQNZPXQIFSLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2OS/c8-5-1-2-7(11)10(3-5)4-6(9)12/h1-3H,4H2,(H2,9,12).
What are the key properties of 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide?
2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide has a molecular weight of 186.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-1-pyridinyl)ethanethioamide is sourced from PubChem (CID 82147300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).