2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide

C10H15N3OS — CID 82897140

IUPAC2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide
SMILESCN(CCn1ccccc1=O)CC(N)=S
InChIInChI=1S/C10H15N3OS/c1-12(8-9(11)15)6-7-13-5-3-2-4-10(13)14/h2-5H,6-8H2,1H3,(H2,11,15)
InChIKeyXJPJLJLBGFRHLS-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.07
Rot. Bonds5

About 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide

2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide (PubChem CID 82897140) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide
PubChem CID82897140
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide
SMILESCN(CCn1ccccc1=O)CC(N)=S
InChIInChI=1S/C10H15N3OS/c1-12(8-9(11)15)6-7-13-5-3-2-4-10(13)14/h2-5H,6-8H2,1H3,(H2,11,15)
InChIKeyXJPJLJLBGFRHLS-UHFFFAOYSA-N
XLogP0.07
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide?
The IUPAC name of 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide (CID 82897140) is 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide.
What is the SMILES notation for 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide?
The canonical SMILES for 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide is CN(CCn1ccccc1=O)CC(N)=S.
What is the InChIKey of 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide?
The InChIKey is XJPJLJLBGFRHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-12(8-9(11)15)6-7-13-5-3-2-4-10(13)14/h2-5H,6-8H2,1H3,(H2,11,15).
What are the key properties of 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide?
2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide has a molecular weight of 225.32 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide is sourced from PubChem (CID 82897140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).