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

C3H3BrN2S — CID 12919160

IUPAC5-bromo-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Br)n1
InChIInChI=1S/C3H3BrN2S/c1-2-5-3(4)7-6-2/h1H3
InChIKeyLRFYFSQFLKUMEP-UHFFFAOYSA-N
MW179.04 g/mol
LogP1.61
Rot. Bonds

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

5-bromo-3-methyl-1,2,4-thiadiazole (PubChem CID 12919160) has the molecular formula C3H3BrN2S and a molecular weight of 179.04 g/mol. Its IUPAC name is 5-bromo-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-methyl-1,2,4-thiadiazole
PubChem CID12919160
Molecular FormulaC3H3BrN2S
Molecular Weight179.04 g/mol
Exact Mass177.92
IUPAC Name5-bromo-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Br)n1
InChIInChI=1S/C3H3BrN2S/c1-2-5-3(4)7-6-2/h1H3
InChIKeyLRFYFSQFLKUMEP-UHFFFAOYSA-N
XLogP1.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.04
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-methyl-1,2,4-thiadiazole (CID 12919160) is 5-bromo-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-methyl-1,2,4-thiadiazole is Cc1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-methyl-1,2,4-thiadiazole?
The InChIKey is LRFYFSQFLKUMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2S/c1-2-5-3(4)7-6-2/h1H3.
What are the key properties of 5-bromo-3-methyl-1,2,4-thiadiazole?
5-bromo-3-methyl-1,2,4-thiadiazole has a molecular weight of 179.04 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 12919160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).