2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole

C8H12N2OS — CID 126996136

IUPAC2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole
SMILESCSC(C)c1nnc(C2CC2)o1
InChIInChI=1S/C8H12N2OS/c1-5(12-2)7-9-10-8(11-7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyXIJBVDURICZISZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.37
Rot. Bonds3

About 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole

2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole (PubChem CID 126996136) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole
PubChem CID126996136
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole
SMILESCSC(C)c1nnc(C2CC2)o1
InChIInChI=1S/C8H12N2OS/c1-5(12-2)7-9-10-8(11-7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyXIJBVDURICZISZ-UHFFFAOYSA-N
XLogP2.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole (CID 126996136) is 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole is CSC(C)c1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole?
The InChIKey is XIJBVDURICZISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(12-2)7-9-10-8(11-7)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole?
2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole has a molecular weight of 184.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126996136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).