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

C6H8N2OS — CID 141188068

IUPAC3-(oxolan-2-yl)-1,2,4-thiadiazole
SMILESc1nc(C2CCCO2)ns1
InChIInChI=1S/C6H8N2OS/c1-2-5(9-3-1)6-7-4-10-8-6/h4-5H,1-3H2
InChIKeyYTQNAJVYOYCFAB-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.39
Rot. Bonds1

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

3-(oxolan-2-yl)-1,2,4-thiadiazole (PubChem CID 141188068) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1,2,4-thiadiazole
PubChem CID141188068
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-(oxolan-2-yl)-1,2,4-thiadiazole
SMILESc1nc(C2CCCO2)ns1
InChIInChI=1S/C6H8N2OS/c1-2-5(9-3-1)6-7-4-10-8-6/h4-5H,1-3H2
InChIKeyYTQNAJVYOYCFAB-UHFFFAOYSA-N
XLogP1.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Oxolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65331347
5-Chloro-3-(oxolan-2-yl)-1,2,4-thiadiazole
CID 65330539
5-Bromo-3-tetrahydrofuran-2-yl-1,2,4-thiadiazole
CID 102618027
5-Iodo-3-(oxolan-2-yl)-1,2,4-thiadiazole
CID 102618491
5-Iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 130951997

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(oxolan-2-yl)-1,2,4-thiadiazole (CID 141188068) is 3-(oxolan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(oxolan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(oxolan-2-yl)-1,2,4-thiadiazole is c1nc(C2CCCO2)ns1.
What is the InChIKey of 3-(oxolan-2-yl)-1,2,4-thiadiazole?
The InChIKey is YTQNAJVYOYCFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-5(9-3-1)6-7-4-10-8-6/h4-5H,1-3H2.
What are the key properties of 3-(oxolan-2-yl)-1,2,4-thiadiazole?
3-(oxolan-2-yl)-1,2,4-thiadiazole has a molecular weight of 156.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 141188068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).