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

C8H8N6O2S — CID 23986878

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESNc1nonc1NC(=O)CSc1ncccn1
InChIInChI=1S/C8H8N6O2S/c9-6-7(14-16-13-6)12-5(15)4-17-8-10-2-1-3-11-8/h1-3H,4H2,(H2,9,13)(H,12,14,15)
InChIKeyYSCGDIZZSRVJIP-UHFFFAOYSA-N
MW252.26 g/mol
LogP0.17
Rot. Bonds4

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

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 23986878) has the molecular formula C8H8N6O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID23986878
Molecular FormulaC8H8N6O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESNc1nonc1NC(=O)CSc1ncccn1
InChIInChI=1S/C8H8N6O2S/c9-6-7(14-16-13-6)12-5(15)4-17-8-10-2-1-3-11-8/h1-3H,4H2,(H2,9,13)(H,12,14,15)
InChIKeyYSCGDIZZSRVJIP-UHFFFAOYSA-N
XLogP0.17
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 23986878) is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is Nc1nonc1NC(=O)CSc1ncccn1.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is YSCGDIZZSRVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2S/c9-6-7(14-16-13-6)12-5(15)4-17-8-10-2-1-3-11-8/h1-3H,4H2,(H2,9,13)(H,12,14,15).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 252.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 23986878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).