acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C12H16N6O2S — CID 142305336

IUPACacetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCC(N)=O.c1cnc(-c2noc(CNSC3CC3)n2)cn1
InChIInChI=1S/C10H11N5OS.C2H5NO/c1-2-7(1)17-13-6-9-14-10(15-16-9)8-5-11-3-4-12-8;1-2(3)4/h3-5,7,13H,1-2,6H2;1H3,(H2,3,4)
InChIKeyDZIZDWPHUMYKPT-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.92
Rot. Bonds5

About acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 142305336) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Nameacetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID142305336
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Nameacetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCC(N)=O.c1cnc(-c2noc(CNSC3CC3)n2)cn1
InChIInChI=1S/C10H11N5OS.C2H5NO/c1-2-7(1)17-13-6-9-14-10(15-16-9)8-5-11-3-4-12-8;1-2(3)4/h3-5,7,13H,1-2,6H2;1H3,(H2,3,4)
InChIKeyDZIZDWPHUMYKPT-UHFFFAOYSA-N
XLogP0.92
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 142305336) is acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is CC(N)=O.c1cnc(-c2noc(CNSC3CC3)n2)cn1.
What is the InChIKey of acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is DZIZDWPHUMYKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS.C2H5NO/c1-2-7(1)17-13-6-9-14-10(15-16-9)8-5-11-3-4-12-8;1-2(3)4/h3-5,7,13H,1-2,6H2;1H3,(H2,3,4).
What are the key properties of acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 308.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 142305336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).