2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine

C11H13N3OS — CID 663078

IUPAC2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESNCCc1nnc(SCc2ccccc2)o1
InChIInChI=1S/C11H13N3OS/c12-7-6-10-13-14-11(15-10)16-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKeySFSSDSVHQINECU-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.86
Rot. Bonds5

About 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine

2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 663078) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID663078
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESNCCc1nnc(SCc2ccccc2)o1
InChIInChI=1S/C11H13N3OS/c12-7-6-10-13-14-11(15-10)16-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKeySFSSDSVHQINECU-UHFFFAOYSA-N
XLogP1.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 663078) is 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is NCCc1nnc(SCc2ccccc2)o1.
What is the InChIKey of 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is SFSSDSVHQINECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-7-6-10-13-14-11(15-10)16-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2.
What are the key properties of 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 235.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 663078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).