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

C8H11BrN2OS — CID 102618225

IUPAC5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
SMILESCC1(c2nsc(Br)n2)CCCCO1
InChIInChI=1S/C8H11BrN2OS/c1-8(4-2-3-5-12-8)6-10-7(9)13-11-6/h2-5H2,1H3
InChIKeyZREFDCIRSDLDAK-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.72
Rot. Bonds1

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

5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole (PubChem CID 102618225) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
PubChem CID102618225
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
SMILESCC1(c2nsc(Br)n2)CCCCO1
InChIInChI=1S/C8H11BrN2OS/c1-8(4-2-3-5-12-8)6-10-7(9)13-11-6/h2-5H2,1H3
InChIKeyZREFDCIRSDLDAK-UHFFFAOYSA-N
XLogP2.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 80680722
N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
CID 80680723
3-(2-Methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
CID 80690243
5-Bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102617885
5-Bromo-3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617889
5-Bromo-3-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102617920
5-Bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
CID 102617950
5-Bromo-3-(1-ethoxycyclopentyl)-1,2,4-thiadiazole
CID 102617991
5-Bromo-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617993
5-Bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
CID 102618045
5-Bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618116
5-Bromo-3-[cyclohexyl(methoxy)methyl]-1,2,4-thiadiazole
CID 102618117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole (CID 102618225) is 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole is CC1(c2nsc(Br)n2)CCCCO1.
What is the InChIKey of 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole?
The InChIKey is ZREFDCIRSDLDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-8(4-2-3-5-12-8)6-10-7(9)13-11-6/h2-5H2,1H3.
What are the key properties of 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole?
5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole has a molecular weight of 263.16 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).