5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole

C11H9BrN2OS — CID 65272231

IUPAC5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESBrc1ccccc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-1-2-4-9(8)15-11-13-10(14-16-11)7-5-6-7/h1-4,7H,5-6H2
InChIKeyOYSBUDLAYVZTQY-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.97
Rot. Bonds3

About 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole

5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 65272231) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID65272231
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESBrc1ccccc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-1-2-4-9(8)15-11-13-10(14-16-11)7-5-6-7/h1-4,7H,5-6H2
InChIKeyOYSBUDLAYVZTQY-UHFFFAOYSA-N
XLogP3.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (CID 65272231) is 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is Brc1ccccc1Oc1nc(C2CC2)ns1.
What is the InChIKey of 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is OYSBUDLAYVZTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-8-3-1-2-4-9(8)15-11-13-10(14-16-11)7-5-6-7/h1-4,7H,5-6H2.
What are the key properties of 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 297.18 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 65272231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).