3-(oxan-4-yl)-1,2,4-thiadiazole

C7H10N2OS — CID 141352819

IUPAC3-(oxan-4-yl)-1,2,4-thiadiazole
SMILESc1nc(C2CCOCC2)ns1
InChIInChI=1S/C7H10N2OS/c1-3-10-4-2-6(1)7-8-5-11-9-7/h5-6H,1-4H2
InChIKeyGFHIUVAEUZOFED-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.43
Rot. Bonds1

About 3-(oxan-4-yl)-1,2,4-thiadiazole

3-(oxan-4-yl)-1,2,4-thiadiazole (PubChem CID 141352819) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-(oxan-4-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(oxan-4-yl)-1,2,4-thiadiazole
PubChem CID141352819
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-(oxan-4-yl)-1,2,4-thiadiazole
SMILESc1nc(C2CCOCC2)ns1
InChIInChI=1S/C7H10N2OS/c1-3-10-4-2-6(1)7-8-5-11-9-7/h5-6H,1-4H2
InChIKeyGFHIUVAEUZOFED-UHFFFAOYSA-N
XLogP1.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 62385373
5-Chloro-3-(oxan-4-yl)-1,2,4-thiadiazole
CID 65334693
5-Bromo-3-tetrahydropyran-4-yl-1,2,4-thiadiazole
CID 102618072
5-Iodo-3-(oxan-4-yl)-1,2,4-thiadiazole
CID 102618534

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(oxan-4-yl)-1,2,4-thiadiazole (CID 141352819) is 3-(oxan-4-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(oxan-4-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(oxan-4-yl)-1,2,4-thiadiazole is c1nc(C2CCOCC2)ns1.
What is the InChIKey of 3-(oxan-4-yl)-1,2,4-thiadiazole?
The InChIKey is GFHIUVAEUZOFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-10-4-2-6(1)7-8-5-11-9-7/h5-6H,1-4H2.
What are the key properties of 3-(oxan-4-yl)-1,2,4-thiadiazole?
3-(oxan-4-yl)-1,2,4-thiadiazole has a molecular weight of 170.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 141352819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).