3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide

C9H11FN2OS — CID 82147588

IUPAC3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide
SMILESCC(Cn1cc(F)ccc1=O)C(N)=S
InChIInChI=1S/C9H11FN2OS/c1-6(9(11)14)4-12-5-7(10)2-3-8(12)13/h2-3,5-6H,4H2,1H3,(H2,11,14)
InChIKeyINTILMHZTAYHMV-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.91
Rot. Bonds3

About 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide

3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide (PubChem CID 82147588) has the molecular formula C9H11FN2OS and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide
PubChem CID82147588
Molecular FormulaC9H11FN2OS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide
SMILESCC(Cn1cc(F)ccc1=O)C(N)=S
InChIInChI=1S/C9H11FN2OS/c1-6(9(11)14)4-12-5-7(10)2-3-8(12)13/h2-3,5-6H,4H2,1H3,(H2,11,14)
InChIKeyINTILMHZTAYHMV-UHFFFAOYSA-N
XLogP0.91
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
CID 2746181
1-(3-Aminopropyl)-5-fluoro-1,2-dihydropyridin-2-one
CID 82146483
1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one
CID 141424034
3-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]propanethioamide
CID 63280125
2-Methyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanethioamide
CID 63280209
2-Methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanethioamide
CID 81319030
3-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]propanethioamide
CID 81319165
3-(5-Fluoro-2-oxo-1-pyridinyl)propanethioamide
CID 82147258
2-(5-Fluoro-2-oxo-1-pyridinyl)ethanethioamide
CID 82147300
3,3,3-Trifluoro-2-[(2-oxo-1-pyridinyl)methyl]propanethioamide
CID 103368879
3,3,3-Trifluoro-2-[(2-methyl-6-oxo-1-pyridinyl)methyl]propanethioamide
CID 103368909
3,3,3-Trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide
CID 103368934

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide?
The IUPAC name of 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide (CID 82147588) is 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide?
The canonical SMILES for 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide is CC(Cn1cc(F)ccc1=O)C(N)=S.
What is the InChIKey of 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide?
The InChIKey is INTILMHZTAYHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-6(9(11)14)4-12-5-7(10)2-3-8(12)13/h2-3,5-6H,4H2,1H3,(H2,11,14).
What are the key properties of 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide?
3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide has a molecular weight of 214.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanethioamide is sourced from PubChem (CID 82147588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).