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

C5H5BrN2S — CID 84672863

IUPAC3-bromo-5-cyclopropyl-1,2,4-thiadiazole
SMILESBrc1nsc(C2CC2)n1
InChIInChI=1S/C5H5BrN2S/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2
InChIKeyZDFKIHZJKVIGMR-UHFFFAOYSA-N
MW205.08 g/mol
LogP2.18
Rot. Bonds1

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

3-bromo-5-cyclopropyl-1,2,4-thiadiazole (PubChem CID 84672863) has the molecular formula C5H5BrN2S and a molecular weight of 205.08 g/mol. Its IUPAC name is 3-bromo-5-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-cyclopropyl-1,2,4-thiadiazole
PubChem CID84672863
Molecular FormulaC5H5BrN2S
Molecular Weight205.08 g/mol
Exact Mass203.94
IUPAC Name3-bromo-5-cyclopropyl-1,2,4-thiadiazole
SMILESBrc1nsc(C2CC2)n1
InChIInChI=1S/C5H5BrN2S/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2
InChIKeyZDFKIHZJKVIGMR-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-cyclopropyl-1,2,4-thiadiazole (CID 84672863) is 3-bromo-5-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-cyclopropyl-1,2,4-thiadiazole is Brc1nsc(C2CC2)n1.
What is the InChIKey of 3-bromo-5-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is ZDFKIHZJKVIGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2S/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2.
What are the key properties of 3-bromo-5-cyclopropyl-1,2,4-thiadiazole?
3-bromo-5-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 205.08 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 84672863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).