2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide

C8H10N2O2S — CID 82151240

IUPAC2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
SMILESCOc1cccn(CC(N)=S)c1=O
InChIInChI=1S/C8H10N2O2S/c1-12-6-3-2-4-10(8(6)11)5-7(9)13/h2-4H,5H2,1H3,(H2,9,13)
InChIKeyYNQWFZZJYXOQIH-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide

2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide (PubChem CID 82151240) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide.

Molecular Properties

Compound Name2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
PubChem CID82151240
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
SMILESCOc1cccn(CC(N)=S)c1=O
InChIInChI=1S/C8H10N2O2S/c1-12-6-3-2-4-10(8(6)11)5-7(9)13/h2-4H,5H2,1H3,(H2,9,13)
InChIKeyYNQWFZZJYXOQIH-UHFFFAOYSA-N
XLogP0.14
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide
CID 82151265
2-[2-oxo-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1-pyridinyl]ethanethioamide
CID 82151244
2-[2-oxo-3-(3-oxo-3-piperidin-1-ylpropoxy)-1-pyridinyl]ethanethioamide
CID 82151242
3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
CID 72931086
2-(2-oxo-1-pyridinyl)ethanethioamide
CID 4913354
3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
CID 72904852
N-(furan-3-ylmethyl)-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide
CID 72844282
2-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]ethanethioamide
CID 82346944
1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one
CID 97284852
3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97281858
3-methoxy-1-[2-[2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 72913931
1-[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-oxoethyl]-3-methoxypyridin-2-one;hydrochloride
CID 154899860

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide?
The IUPAC name of 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide (CID 82151240) is 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide.
What is the SMILES notation for 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide?
The canonical SMILES for 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide is COc1cccn(CC(N)=S)c1=O.
What is the InChIKey of 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide?
The InChIKey is YNQWFZZJYXOQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-6-3-2-4-10(8(6)11)5-7(9)13/h2-4H,5H2,1H3,(H2,9,13).
What are the key properties of 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide?
2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide has a molecular weight of 198.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide is sourced from PubChem (CID 82151240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).