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

C7H8N2OS — CID 4913354

IUPAC2-(2-oxo-1-pyridinyl)ethanethioamide
SMILESNC(=S)Cn1ccccc1=O
InChIInChI=1S/C7H8N2OS/c8-6(11)5-9-4-2-1-3-7(9)10/h1-4H,5H2,(H2,8,11)
InChIKeyOGACHYMVEYRDDM-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.13
Rot. Bonds2

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

2-(2-oxo-1-pyridinyl)ethanethioamide (PubChem CID 4913354) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)ethanethioamide.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)ethanethioamide
PubChem CID4913354
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-(2-oxo-1-pyridinyl)ethanethioamide
SMILESNC(=S)Cn1ccccc1=O
InChIInChI=1S/C7H8N2OS/c8-6(11)5-9-4-2-1-3-7(9)10/h1-4H,5H2,(H2,8,11)
InChIKeyOGACHYMVEYRDDM-UHFFFAOYSA-N
XLogP0.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.13
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 2-(2-oxo-1-pyridinyl)ethanethioamide?
The IUPAC name of 2-(2-oxo-1-pyridinyl)ethanethioamide (CID 4913354) is 2-(2-oxo-1-pyridinyl)ethanethioamide.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)ethanethioamide?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)ethanethioamide is NC(=S)Cn1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)ethanethioamide?
The InChIKey is OGACHYMVEYRDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-6(11)5-9-4-2-1-3-7(9)10/h1-4H,5H2,(H2,8,11).
What are the key properties of 2-(2-oxo-1-pyridinyl)ethanethioamide?
2-(2-oxo-1-pyridinyl)ethanethioamide has a molecular weight of 168.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)ethanethioamide is sourced from PubChem (CID 4913354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).