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

C7H9BrN2OS — CID 102943207

IUPAC3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
SMILESCC1CCC(c2nc(Br)ns2)O1
InChIInChI=1S/C7H9BrN2OS/c1-4-2-3-5(11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3
InChIKeyLVDWTBYXJIDZRB-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.54
Rot. Bonds1

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

3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole (PubChem CID 102943207) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
PubChem CID102943207
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
SMILESCC1CCC(c2nc(Br)ns2)O1
InChIInChI=1S/C7H9BrN2OS/c1-4-2-3-5(11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3
InChIKeyLVDWTBYXJIDZRB-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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-(Oxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 64544463
5-(2-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 80173192
5-(5-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 81327546
5-(3-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 81576418
3-(5-Methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 82837286
5-Bromo-3-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102617920
5-Bromo-3-tetrahydrofuran-2-yl-1,2,4-thiadiazole
CID 102618027
3-Bromo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazole
CID 102943202
3-Bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole
CID 102943312
3-Bromo-5-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943329
3-Bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
CID 102943357

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole (CID 102943207) is 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole is CC1CCC(c2nc(Br)ns2)O1.
What is the InChIKey of 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole?
The InChIKey is LVDWTBYXJIDZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-4-2-3-5(11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3.
What are the key properties of 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole?
3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole has a molecular weight of 249.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).