2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C6H9N3O2S — CID 839807

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(N)=O)o1
InChIInChI=1S/C6H9N3O2S/c1-2-5-8-9-6(11-5)12-3-4(7)10/h2-3H2,1H3,(H2,7,10)
InChIKeyBPPPJZVNNDAWOI-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.21
Rot. Bonds4

About 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 839807) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID839807
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(N)=O)o1
InChIInChI=1S/C6H9N3O2S/c1-2-5-8-9-6(11-5)12-3-4(7)10/h2-3H2,1H3,(H2,7,10)
InChIKeyBPPPJZVNNDAWOI-UHFFFAOYSA-N
XLogP0.21
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 839807) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCc1nnc(SCC(N)=O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is BPPPJZVNNDAWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-5-8-9-6(11-5)12-3-4(7)10/h2-3H2,1H3,(H2,7,10).
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 187.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 839807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).