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

C8H11BrN2OS — CID 130802998

IUPAC3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole
SMILESBrc1nsc(CCC2CCOC2)n1
InChIInChI=1S/C8H11BrN2OS/c9-8-10-7(13-11-8)2-1-6-3-4-12-5-6/h6H,1-5H2
InChIKeyMOVOLPZSJFZFAR-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.27
Rot. Bonds3

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

3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole (PubChem CID 130802998) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole
PubChem CID130802998
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole
SMILESBrc1nsc(CCC2CCOC2)n1
InChIInChI=1S/C8H11BrN2OS/c9-8-10-7(13-11-8)2-1-6-3-4-12-5-6/h6H,1-5H2
InChIKeyMOVOLPZSJFZFAR-UHFFFAOYSA-N
XLogP2.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazole
CID 102618075
3-Bromo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazole
CID 102943202
3-Bromo-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943340
3-Bromo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
CID 102943357
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
3-Bromo-5-(3-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943444
3-Bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103170912
3-Bromo-5-(2-ethyloxolan-3-yl)-1,2,4-thiadiazole
CID 105732454
5-(2-Ethyloxolan-3-yl)-3-iodo-1,2,4-thiadiazole
CID 105732460
3-Chloro-5-(2-ethyloxolan-3-yl)-1,2,4-thiadiazole
CID 105732465
5-(2-Ethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 105742600

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole (CID 130802998) is 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole is Brc1nsc(CCC2CCOC2)n1.
What is the InChIKey of 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole?
The InChIKey is MOVOLPZSJFZFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c9-8-10-7(13-11-8)2-1-6-3-4-12-5-6/h6H,1-5H2.
What are the key properties of 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole?
3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole has a molecular weight of 263.16 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 130802998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).