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

C7H14N3OS+ — CID 7808856

IUPAC2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium
SMILESCC(C)Sc1nnc(CC[NH3+])o1
InChIInChI=1S/C7H13N3OS/c1-5(2)12-7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3/p+1
InChIKeyZJRLRXMMUMDPJP-UHFFFAOYSA-O
MW188.28 g/mol
LogP0.35
Rot. Bonds4

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

2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium (PubChem CID 7808856) has the molecular formula C7H14N3OS+ and a molecular weight of 188.28 g/mol. Its IUPAC name is 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium.

Molecular Properties

Compound Name2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium
PubChem CID7808856
Molecular FormulaC7H14N3OS+
Molecular Weight188.28 g/mol
Exact Mass188.09
IUPAC Name2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium
SMILESCC(C)Sc1nnc(CC[NH3+])o1
InChIInChI=1S/C7H13N3OS/c1-5(2)12-7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3/p+1
InChIKeyZJRLRXMMUMDPJP-UHFFFAOYSA-O
XLogP0.35
TPSA66.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium?
The IUPAC name of 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium (CID 7808856) is 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium.
What is the SMILES notation for 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium?
The canonical SMILES for 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium is CC(C)Sc1nnc(CC[NH3+])o1.
What is the InChIKey of 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium?
The InChIKey is ZJRLRXMMUMDPJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N3OS/c1-5(2)12-7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3/p+1.
What are the key properties of 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium?
2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium has a molecular weight of 188.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium is sourced from PubChem (CID 7808856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).