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

C5H9N3OS — CID 39235557

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCCN)o1
InChIInChI=1S/C5H9N3OS/c1-4-7-8-5(9-4)10-3-2-6/h2-3,6H2,1H3
InChIKeyLJHVEAUNDNVZOI-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.43
Rot. Bonds3

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 39235557) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
PubChem CID39235557
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCCN)o1
InChIInChI=1S/C5H9N3OS/c1-4-7-8-5(9-4)10-3-2-6/h2-3,6H2,1H3
InChIKeyLJHVEAUNDNVZOI-UHFFFAOYSA-N
XLogP0.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine (CID 39235557) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine is Cc1nnc(SCCN)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is LJHVEAUNDNVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-4-7-8-5(9-4)10-3-2-6/h2-3,6H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 159.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 39235557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).