5-bromo-3-ethyl-1,2,4-thiadiazole

C4H5BrN2S — CID 53418423

IUPAC5-bromo-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Br)n1
InChIInChI=1S/C4H5BrN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3
InChIKeyBCJRSKLUHYJWCD-UHFFFAOYSA-N
MW193.07 g/mol
LogP1.86
Rot. Bonds1

About 5-bromo-3-ethyl-1,2,4-thiadiazole

5-bromo-3-ethyl-1,2,4-thiadiazole (PubChem CID 53418423) has the molecular formula C4H5BrN2S and a molecular weight of 193.07 g/mol. Its IUPAC name is 5-bromo-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-ethyl-1,2,4-thiadiazole
PubChem CID53418423
Molecular FormulaC4H5BrN2S
Molecular Weight193.07 g/mol
Exact Mass191.94
IUPAC Name5-bromo-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Br)n1
InChIInChI=1S/C4H5BrN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3
InChIKeyBCJRSKLUHYJWCD-UHFFFAOYSA-N
XLogP1.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-ethyl-1,2,4-thiadiazole (CID 53418423) is 5-bromo-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-ethyl-1,2,4-thiadiazole?
The InChIKey is BCJRSKLUHYJWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3.
What are the key properties of 5-bromo-3-ethyl-1,2,4-thiadiazole?
5-bromo-3-ethyl-1,2,4-thiadiazole has a molecular weight of 193.07 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 53418423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).