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

C9H8N6O3S — CID 23878026

IUPACN-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=CNc1nonc1NC(=O)CSc1ncccn1
InChIInChI=1S/C9H8N6O3S/c16-5-12-7-8(15-18-14-7)13-6(17)4-19-9-10-2-1-3-11-9/h1-3,5H,4H2,(H,12,14,16)(H,13,15,17)
InChIKeyIPIVIEXPTBFXLG-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.16
Rot. Bonds6

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

N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 23878026) has the molecular formula C9H8N6O3S and a molecular weight of 280.27 g/mol. Its IUPAC name is N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID23878026
Molecular FormulaC9H8N6O3S
Molecular Weight280.27 g/mol
Exact Mass280.04
IUPAC NameN-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=CNc1nonc1NC(=O)CSc1ncccn1
InChIInChI=1S/C9H8N6O3S/c16-5-12-7-8(15-18-14-7)13-6(17)4-19-9-10-2-1-3-11-9/h1-3,5H,4H2,(H,12,14,16)(H,13,15,17)
InChIKeyIPIVIEXPTBFXLG-UHFFFAOYSA-N
XLogP0.16
TPSA122.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 23878026) is N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is O=CNc1nonc1NC(=O)CSc1ncccn1.
What is the InChIKey of N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is IPIVIEXPTBFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3S/c16-5-12-7-8(15-18-14-7)13-6(17)4-19-9-10-2-1-3-11-9/h1-3,5H,4H2,(H,12,14,16)(H,13,15,17).
What are the key properties of N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 280.27 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 23878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).