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

C6H11N3OS — CID 39236451

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
SMILESCCc1nnc(SCCN)o1
InChIInChI=1S/C6H11N3OS/c1-2-5-8-9-6(10-5)11-4-3-7/h2-4,7H2,1H3
InChIKeyLHJCWAZJWFAFLG-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.68
Rot. Bonds4

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 39236451) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
PubChem CID39236451
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
SMILESCCc1nnc(SCCN)o1
InChIInChI=1S/C6H11N3OS/c1-2-5-8-9-6(10-5)11-4-3-7/h2-4,7H2,1H3
InChIKeyLHJCWAZJWFAFLG-UHFFFAOYSA-N
XLogP0.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.68
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]ethanamine?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine (CID 39236451) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine is CCc1nnc(SCCN)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is LHJCWAZJWFAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-2-5-8-9-6(10-5)11-4-3-7/h2-4,7H2,1H3.
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 173.24 g/mol, XLogP of 0.68, 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]ethanamine is sourced from PubChem (CID 39236451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).