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

C6H7BrN2OS — CID 102943312

IUPAC3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole
SMILESBrc1nsc(C2CCCO2)n1
InChIInChI=1S/C6H7BrN2OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2
InChIKeyBXUYOJXPYRKJAH-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.15
Rot. Bonds1

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

3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole (PubChem CID 102943312) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is 3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole
PubChem CID102943312
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole
SMILESBrc1nsc(C2CCCO2)n1
InChIInChI=1S/C6H7BrN2OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2
InChIKeyBXUYOJXPYRKJAH-UHFFFAOYSA-N
XLogP2.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.15
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-Chloro-3-(oxolan-2-yl)-1,2,4-thiadiazole
CID 65330539
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
5-Bromo-3-tetrahydrofuran-2-yl-1,2,4-thiadiazole
CID 102618027
5-Iodo-3-(oxolan-2-yl)-1,2,4-thiadiazole
CID 102618491
3-Bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943207
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
3-Bromo-5-(1-methoxyethyl)-1,2,4-thiadiazole
CID 102943369
3-Bromo-5-(3-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943444

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole (CID 102943312) is 3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole is Brc1nsc(C2CCCO2)n1.
What is the InChIKey of 3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole?
The InChIKey is BXUYOJXPYRKJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2.
What are the key properties of 3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole?
3-bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole has a molecular weight of 235.11 g/mol, XLogP of 2.15, 1 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-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).