N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide

C11H11N5O3S — CID 715902

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(=O)Nc1nonc1NC(=O)CSc1ccccn1
InChIInChI=1S/C11H11N5O3S/c1-7(17)13-10-11(16-19-15-10)14-8(18)6-20-9-4-2-3-5-12-9/h2-5H,6H2,1H3,(H,13,15,17)(H,14,16,18)
InChIKeyUAHGNNSDJVUDCF-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.15
Rot. Bonds5

About N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 715902) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID715902
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(=O)Nc1nonc1NC(=O)CSc1ccccn1
InChIInChI=1S/C11H11N5O3S/c1-7(17)13-10-11(16-19-15-10)14-8(18)6-20-9-4-2-3-5-12-9/h2-5H,6H2,1H3,(H,13,15,17)(H,14,16,18)
InChIKeyUAHGNNSDJVUDCF-UHFFFAOYSA-N
XLogP1.15
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide (CID 715902) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide is CC(=O)Nc1nonc1NC(=O)CSc1ccccn1.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is UAHGNNSDJVUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-7(17)13-10-11(16-19-15-10)14-8(18)6-20-9-4-2-3-5-12-9/h2-5H,6H2,1H3,(H,13,15,17)(H,14,16,18).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 293.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 715902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).