3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole

C7H9BrN2OS — CID 102943357

IUPAC3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
SMILESBrc1nsc(CC2CCCO2)n1
InChIInChI=1S/C7H9BrN2OS/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2
InChIKeyWUZOKVXNGOZOFJ-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.02
Rot. Bonds2

About 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole

3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole (PubChem CID 102943357) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
PubChem CID102943357
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
SMILESBrc1nsc(CC2CCCO2)n1
InChIInChI=1S/C7H9BrN2OS/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2
InChIKeyWUZOKVXNGOZOFJ-UHFFFAOYSA-N
XLogP2.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 43556075
5-[2-(Oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine
CID 65159397
5-(Oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine
CID 65159398
5-Chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
CID 65266739
5-Bromo-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
CID 102618242
5-Iodo-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
CID 102618696
3-Bromo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazole
CID 102943202
3-Bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943207
3-Bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole
CID 102943312
3-Bromo-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943340
3-Bromo-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943358
3-Bromo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943407

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole (CID 102943357) is 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole is Brc1nsc(CC2CCCO2)n1.
What is the InChIKey of 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole?
The InChIKey is WUZOKVXNGOZOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2.
What are the key properties of 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole?
3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole has a molecular weight of 249.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).