5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole

C7H11BrN2OS — CID 102618277

IUPAC5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole
SMILESCCCC(OC)c1nsc(Br)n1
InChIInChI=1S/C7H11BrN2OS/c1-3-4-5(11-2)6-9-7(8)12-10-6/h5H,3-4H2,1-2H3
InChIKeyROVIHFWFQGTHEH-UHFFFAOYSA-N
MW251.15 g/mol
LogP2.79
Rot. Bonds4

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

5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole (PubChem CID 102618277) has the molecular formula C7H11BrN2OS and a molecular weight of 251.15 g/mol. Its IUPAC name is 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole
PubChem CID102618277
Molecular FormulaC7H11BrN2OS
Molecular Weight251.15 g/mol
Exact Mass249.98
IUPAC Name5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole
SMILESCCCC(OC)c1nsc(Br)n1
InChIInChI=1S/C7H11BrN2OS/c1-3-4-5(11-2)6-9-7(8)12-10-6/h5H,3-4H2,1-2H3
InChIKeyROVIHFWFQGTHEH-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-(methoxymethyl)-1,2,4-thiadiazole
CID 83884227
5-Chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 65267198
5-Chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole
CID 79604486
5-Bromo-3-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 83897484
5-Bromo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102617887
5-Bromo-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-thiadiazole
CID 102617891
5-Bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102617952
5-Bromo-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 102617980
5-Bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 102617989
5-Bromo-3-tetrahydrofuran-2-yl-1,2,4-thiadiazole
CID 102618027
5-Bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole
CID 102618090
5-Bromo-3-(1-methoxypropyl)-1,2,4-thiadiazole
CID 102618114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole (CID 102618277) is 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole is CCCC(OC)c1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole?
The InChIKey is ROVIHFWFQGTHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2OS/c1-3-4-5(11-2)6-9-7(8)12-10-6/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole?
5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole has a molecular weight of 251.15 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).