2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine

C8H16N4OS — CID 103437371

IUPAC2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCSCCC(C)Nc1nnc(N)o1
InChIInChI=1S/C8H16N4OS/c1-3-14-5-4-6(2)10-8-12-11-7(9)13-8/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyRGSOXVBHGMUXQS-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.60
Rot. Bonds6

About 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437371) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437371
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCSCCC(C)Nc1nnc(N)o1
InChIInChI=1S/C8H16N4OS/c1-3-14-5-4-6(2)10-8-12-11-7(9)13-8/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyRGSOXVBHGMUXQS-UHFFFAOYSA-N
XLogP1.60
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437371) is 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine is CCSCCC(C)Nc1nnc(N)o1.
What is the InChIKey of 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is RGSOXVBHGMUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-3-14-5-4-6(2)10-8-12-11-7(9)13-8/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12).
What are the key properties of 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 216.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).