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

C7H9BrN2OS — CID 102617929

IUPAC5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole
SMILESBrc1nc(C2CCCOC2)ns1
InChIInChI=1S/C7H9BrN2OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2
InChIKeyGIOWUYAMUQYFRN-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.19
Rot. Bonds1

About 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole

5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole (PubChem CID 102617929) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole
PubChem CID102617929
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole
SMILESBrc1nc(C2CCCOC2)ns1
InChIInChI=1S/C7H9BrN2OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2
InChIKeyGIOWUYAMUQYFRN-UHFFFAOYSA-N
XLogP2.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 63738395
5-(Oxan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64544060
5-Chloro-3-(oxan-3-yl)-1,2,4-thiadiazole
CID 65333995
5-Bromo-3-tetrahydropyran-4-yl-1,2,4-thiadiazole
CID 102618072
5-Bromo-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazole
CID 102618075
5-Iodo-3-(oxan-3-yl)-1,2,4-thiadiazole
CID 102618392
3-Bromo-5-(oxan-3-yl)-1,2,4-thiadiazole
CID 121601592
3-Iodo-5-(oxan-3-yl)-1,2,4-thiadiazole
CID 121601631
3-Chloro-5-(oxan-3-yl)-1,2,4-thiadiazole
CID 121601669

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole (CID 102617929) is 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole is Brc1nc(C2CCCOC2)ns1.
What is the InChIKey of 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole?
The InChIKey is GIOWUYAMUQYFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2.
What are the key properties of 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole?
5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole has a molecular weight of 249.13 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(oxan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102617929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).