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

C7H9BrN2S — CID 130871494

IUPAC3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole
SMILESBrc1nsc(CCC2CC2)n1
InChIInChI=1S/C7H9BrN2S/c8-7-9-6(11-10-7)4-3-5-1-2-5/h5H,1-4H2
InChIKeyOYVQOZMHWRHYPP-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.64
Rot. Bonds3

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

3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole (PubChem CID 130871494) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole
PubChem CID130871494
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole
SMILESBrc1nsc(CCC2CC2)n1
InChIInChI=1S/C7H9BrN2S/c8-7-9-6(11-10-7)4-3-5-1-2-5/h5H,1-4H2
InChIKeyOYVQOZMHWRHYPP-UHFFFAOYSA-N
XLogP2.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole (CID 130871494) is 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole is Brc1nsc(CCC2CC2)n1.
What is the InChIKey of 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole?
The InChIKey is OYVQOZMHWRHYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c8-7-9-6(11-10-7)4-3-5-1-2-5/h5H,1-4H2.
What are the key properties of 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole?
3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole has a molecular weight of 233.13 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 130871494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).