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

C10H10N6O3S — CID 712223

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(=O)Nc1nonc1NC(=O)CSc1ncccn1
InChIInChI=1S/C10H10N6O3S/c1-6(17)13-8-9(16-19-15-8)14-7(18)5-20-10-11-3-2-4-12-10/h2-4H,5H2,1H3,(H,13,15,17)(H,14,16,18)
InChIKeyPATJLUYWFGAVKA-UHFFFAOYSA-N
MW294.30 g/mol
LogP0.55
Rot. Bonds5

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

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 712223) has the molecular formula C10H10N6O3S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID712223
Molecular FormulaC10H10N6O3S
Molecular Weight294.30 g/mol
Exact Mass294.05
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(=O)Nc1nonc1NC(=O)CSc1ncccn1
InChIInChI=1S/C10H10N6O3S/c1-6(17)13-8-9(16-19-15-8)14-7(18)5-20-10-11-3-2-4-12-10/h2-4H,5H2,1H3,(H,13,15,17)(H,14,16,18)
InChIKeyPATJLUYWFGAVKA-UHFFFAOYSA-N
XLogP0.55
TPSA122.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 712223) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is CC(=O)Nc1nonc1NC(=O)CSc1ncccn1.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is PATJLUYWFGAVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3S/c1-6(17)13-8-9(16-19-15-8)14-7(18)5-20-10-11-3-2-4-12-10/h2-4H,5H2,1H3,(H,13,15,17)(H,14,16,18).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 294.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 712223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).