N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide

C12H15N4O3S+ — CID 53295755

IUPACN-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESCOCC[n+]1cc(NC(=O)CSc2ccccn2)on1
InChIInChI=1S/C12H14N4O3S/c1-18-7-6-16-8-11(19-15-16)14-10(17)9-20-12-4-2-3-5-13-12/h2-5,8H,6-7,9H2,1H3/p+1
InChIKeyMVDUDFHOAQOXOZ-UHFFFAOYSA-O
MW295.34 g/mol
LogP0.73
Rot. Bonds7

About N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide

N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 53295755) has the molecular formula C12H15N4O3S+ and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID53295755
Molecular FormulaC12H15N4O3S+
Molecular Weight295.34 g/mol
Exact Mass295.09
IUPAC NameN-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESCOCC[n+]1cc(NC(=O)CSc2ccccn2)on1
InChIInChI=1S/C12H14N4O3S/c1-18-7-6-16-8-11(19-15-16)14-10(17)9-20-12-4-2-3-5-13-12/h2-5,8H,6-7,9H2,1H3/p+1
InChIKeyMVDUDFHOAQOXOZ-UHFFFAOYSA-O
XLogP0.73
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295635
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]benzamide
CID 53275257
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295885
N-(3-ethyloxadiazol-3-ium-5-yl)-2-phenylsulfanylacetamide
CID 53293964
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 53295687
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295663
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295873
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295889
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295671
2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295695
2-[(4E)-4-[(2,5-dimethoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295713

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide (CID 53295755) is N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide is COCC[n+]1cc(NC(=O)CSc2ccccn2)on1.
What is the InChIKey of N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is MVDUDFHOAQOXOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N4O3S/c1-18-7-6-16-8-11(19-15-16)14-10(17)9-20-12-4-2-3-5-13-12/h2-5,8H,6-7,9H2,1H3/p+1.
What are the key properties of N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide?
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 295.34 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 53295755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).