N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide

C12H14N4O2S — CID 53160899

IUPACN-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCNC(=O)CSc1ncccc1-c1noc(C)n1
InChIInChI=1S/C12H14N4O2S/c1-3-13-10(17)7-19-12-9(5-4-6-14-12)11-15-8(2)18-16-11/h4-6H,3,7H2,1-2H3,(H,13,17)
InChIKeyFICOIJPDBBURNL-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.67
Rot. Bonds5

About N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide

N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53160899) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53160899
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCNC(=O)CSc1ncccc1-c1noc(C)n1
InChIInChI=1S/C12H14N4O2S/c1-3-13-10(17)7-19-12-9(5-4-6-14-12)11-15-8(2)18-16-11/h4-6H,3,7H2,1-2H3,(H,13,17)
InChIKeyFICOIJPDBBURNL-UHFFFAOYSA-N
XLogP1.67
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53160899) is N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide is CCNC(=O)CSc1ncccc1-c1noc(C)n1.
What is the InChIKey of N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is FICOIJPDBBURNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-13-10(17)7-19-12-9(5-4-6-14-12)11-15-8(2)18-16-11/h4-6H,3,7H2,1-2H3,(H,13,17).
What are the key properties of N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53160899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).