1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide

C8H9FN2OS — CID 107017841

IUPAC1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide
SMILESNC(=S)c1cccn(CCF)c1=O
InChIInChI=1S/C8H9FN2OS/c9-3-5-11-4-1-2-6(7(10)13)8(11)12/h1-2,4H,3,5H2,(H2,10,13)
InChIKeyUCNPECRIBHKJDA-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.45
Rot. Bonds3

About 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide

1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide (PubChem CID 107017841) has the molecular formula C8H9FN2OS and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide
PubChem CID107017841
Molecular FormulaC8H9FN2OS
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide
SMILESNC(=S)c1cccn(CCF)c1=O
InChIInChI=1S/C8H9FN2OS/c9-3-5-11-4-1-2-6(7(10)13)8(11)12/h1-2,4H,3,5H2,(H2,10,13)
InChIKeyUCNPECRIBHKJDA-UHFFFAOYSA-N
XLogP0.45
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide?
The IUPAC name of 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide (CID 107017841) is 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide is NC(=S)c1cccn(CCF)c1=O.
What is the InChIKey of 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide?
The InChIKey is UCNPECRIBHKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2OS/c9-3-5-11-4-1-2-6(7(10)13)8(11)12/h1-2,4H,3,5H2,(H2,10,13).
What are the key properties of 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide?
1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide has a molecular weight of 200.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 107017841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).