2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide

C12H14N4O2S — CID 4032589

IUPAC2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESCC(C)c1nnc(SCC(=O)Nc2ccccn2)o1
InChIInChI=1S/C12H14N4O2S/c1-8(2)11-15-16-12(18-11)19-7-10(17)14-9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H,13,14,17)
InChIKeyLISIVHVNNZRYJH-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.32
Rot. Bonds5

About 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide

2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 4032589) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID4032589
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESCC(C)c1nnc(SCC(=O)Nc2ccccn2)o1
InChIInChI=1S/C12H14N4O2S/c1-8(2)11-15-16-12(18-11)19-7-10(17)14-9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H,13,14,17)
InChIKeyLISIVHVNNZRYJH-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide (CID 4032589) is 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide is CC(C)c1nnc(SCC(=O)Nc2ccccn2)o1.
What is the InChIKey of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is LISIVHVNNZRYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8(2)11-15-16-12(18-11)19-7-10(17)14-9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H,13,14,17).
What are the key properties of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 278.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 4032589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).