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

C6H12N3OS+ — CID 7826989

IUPAC2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium
SMILESCCSc1nnc(CC[NH3+])o1
InChIInChI=1S/C6H11N3OS/c1-2-11-6-9-8-5(10-6)3-4-7/h2-4,7H2,1H3/p+1
InChIKeyCLORERDCHQSTNU-UHFFFAOYSA-O
MW174.25 g/mol
LogP-0.03
Rot. Bonds4

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

2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium (PubChem CID 7826989) has the molecular formula C6H12N3OS+ and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium.

Molecular Properties

Compound Name2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium
PubChem CID7826989
Molecular FormulaC6H12N3OS+
Molecular Weight174.25 g/mol
Exact Mass174.07
IUPAC Name2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium
SMILESCCSc1nnc(CC[NH3+])o1
InChIInChI=1S/C6H11N3OS/c1-2-11-6-9-8-5(10-6)3-4-7/h2-4,7H2,1H3/p+1
InChIKeyCLORERDCHQSTNU-UHFFFAOYSA-O
XLogP-0.03
TPSA66.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium?
The IUPAC name of 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium (CID 7826989) is 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium.
What is the SMILES notation for 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium?
The canonical SMILES for 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium is CCSc1nnc(CC[NH3+])o1.
What is the InChIKey of 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium?
The InChIKey is CLORERDCHQSTNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N3OS/c1-2-11-6-9-8-5(10-6)3-4-7/h2-4,7H2,1H3/p+1.
What are the key properties of 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium?
2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium has a molecular weight of 174.25 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium is sourced from PubChem (CID 7826989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).