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

C6H11N3OS — CID 931807

IUPAC2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCSc1nnc(CCN)o1
InChIInChI=1S/C6H11N3OS/c1-2-11-6-9-8-5(10-6)3-4-7/h2-4,7H2,1H3
InChIKeyCLORERDCHQSTNU-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.68
Rot. Bonds4

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

2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 931807) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID931807
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCSc1nnc(CCN)o1
InChIInChI=1S/C6H11N3OS/c1-2-11-6-9-8-5(10-6)3-4-7/h2-4,7H2,1H3
InChIKeyCLORERDCHQSTNU-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-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 931807) is 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is CCSc1nnc(CCN)o1.
What is the InChIKey of 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is CLORERDCHQSTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-2-11-6-9-8-5(10-6)3-4-7/h2-4,7H2,1H3.
What are the key properties of 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)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-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 931807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).