1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide

C14H13FN2OS — CID 82519615

IUPAC1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide
SMILESCCn1c(-c2ccc(F)cc2)ccc(C(N)=S)c1=O
InChIInChI=1S/C14H13FN2OS/c1-2-17-12(9-3-5-10(15)6-4-9)8-7-11(13(16)19)14(17)18/h3-8H,2H2,1H3,(H2,16,19)
InChIKeyJRMLRLQXSLHGEY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.31
Rot. Bonds3

About 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide

1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide (PubChem CID 82519615) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide
PubChem CID82519615
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide
SMILESCCn1c(-c2ccc(F)cc2)ccc(C(N)=S)c1=O
InChIInChI=1S/C14H13FN2OS/c1-2-17-12(9-3-5-10(15)6-4-9)8-7-11(13(16)19)14(17)18/h3-8H,2H2,1H3,(H2,16,19)
InChIKeyJRMLRLQXSLHGEY-UHFFFAOYSA-N
XLogP2.31
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.31
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-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide
CID 82520710
1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine
CID 117223103
6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbohydrazide
CID 82519493
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
CID 82520107
1-[(3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073345
3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519555
1-(2-ethylbutyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073462
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368
6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide?
The IUPAC name of 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide (CID 82519615) is 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide is CCn1c(-c2ccc(F)cc2)ccc(C(N)=S)c1=O.
What is the InChIKey of 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide?
The InChIKey is JRMLRLQXSLHGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-2-17-12(9-3-5-10(15)6-4-9)8-7-11(13(16)19)14(17)18/h3-8H,2H2,1H3,(H2,16,19).
What are the key properties of 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide?
1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide has a molecular weight of 276.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 82519615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).