3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide

C10H11F3N2OS — CID 103368934

IUPAC3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide
SMILESCc1ccn(CC(C(N)=S)C(F)(F)F)c(=O)c1
InChIInChI=1S/C10H11F3N2OS/c1-6-2-3-15(8(16)4-6)5-7(9(14)17)10(11,12)13/h2-4,7H,5H2,1H3,(H2,14,17)
InChIKeyWTHMLKQZMHBTEP-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.62
Rot. Bonds3

About 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide

3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide (PubChem CID 103368934) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide
PubChem CID103368934
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide
SMILESCc1ccn(CC(C(N)=S)C(F)(F)F)c(=O)c1
InChIInChI=1S/C10H11F3N2OS/c1-6-2-3-15(8(16)4-6)5-7(9(14)17)10(11,12)13/h2-4,7H,5H2,1H3,(H2,14,17)
InChIKeyWTHMLKQZMHBTEP-UHFFFAOYSA-N
XLogP1.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.62
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

1-(2-aminopropyl)-4-methylpyridin-2-one
CID 62962673
1-(3-amino-2-hydroxypropyl)-4-methylpyridin-2-one
CID 62962681
2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide
CID 65248653
3,3,3-trifluoro-2-[(N,2,4-trimethylanilino)methyl]propanethioamide
CID 103368674
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one
CID 62962682
1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one
CID 55153499
methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate
CID 65441441
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
CID 116622557
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
CID 104753235
3,3,3-trifluoro-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]propanethioamide
CID 103368571
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide?
The IUPAC name of 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide (CID 103368934) is 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide is Cc1ccn(CC(C(N)=S)C(F)(F)F)c(=O)c1.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide?
The InChIKey is WTHMLKQZMHBTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-6-2-3-15(8(16)4-6)5-7(9(14)17)10(11,12)13/h2-4,7H,5H2,1H3,(H2,14,17).
What are the key properties of 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide?
3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide has a molecular weight of 264.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide is sourced from PubChem (CID 103368934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).