3-thiomorpholin-3-yl-1,2,4-oxadiazole

C6H9N3OS — CID 105434753

IUPAC3-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESc1nc(C2CSCCN2)no1
InChIInChI=1S/C6H9N3OS/c1-2-11-3-5(7-1)6-8-4-10-9-6/h4-5,7H,1-3H2
InChIKeyJSOSNRFABXFKGT-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.45
Rot. Bonds1

About 3-thiomorpholin-3-yl-1,2,4-oxadiazole

3-thiomorpholin-3-yl-1,2,4-oxadiazole (PubChem CID 105434753) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-thiomorpholin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thiomorpholin-3-yl-1,2,4-oxadiazole
PubChem CID105434753
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name3-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESc1nc(C2CSCCN2)no1
InChIInChI=1S/C6H9N3OS/c1-2-11-3-5(7-1)6-8-4-10-9-6/h4-5,7H,1-3H2
InChIKeyJSOSNRFABXFKGT-UHFFFAOYSA-N
XLogP0.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-thiomorpholin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-thiomorpholin-3-yl-1,2,4-oxadiazole (CID 105434753) is 3-thiomorpholin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-thiomorpholin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-thiomorpholin-3-yl-1,2,4-oxadiazole is c1nc(C2CSCCN2)no1.
What is the InChIKey of 3-thiomorpholin-3-yl-1,2,4-oxadiazole?
The InChIKey is JSOSNRFABXFKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-2-11-3-5(7-1)6-8-4-10-9-6/h4-5,7H,1-3H2.
What are the key properties of 3-thiomorpholin-3-yl-1,2,4-oxadiazole?
3-thiomorpholin-3-yl-1,2,4-oxadiazole has a molecular weight of 171.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 105434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).