2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole

C6H9N3OS — CID 62786332

IUPAC2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(SC2CNC2)o1
InChIInChI=1S/C6H9N3OS/c1-4-8-9-6(10-4)11-5-2-7-3-5/h5,7H,2-3H2,1H3
InChIKeyXVCCAVGOFFAFLP-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.44
Rot. Bonds2

About 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole

2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 62786332) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole
PubChem CID62786332
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(SC2CNC2)o1
InChIInChI=1S/C6H9N3OS/c1-4-8-9-6(10-4)11-5-2-7-3-5/h5,7H,2-3H2,1H3
InChIKeyXVCCAVGOFFAFLP-UHFFFAOYSA-N
XLogP0.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole (CID 62786332) is 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(SC2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is XVCCAVGOFFAFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-8-9-6(10-4)11-5-2-7-3-5/h5,7H,2-3H2,1H3.
What are the key properties of 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole?
2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 171.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 62786332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).