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

C11H9BrN2OS — CID 65272175

IUPAC5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESBrc1cccc(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C11H9BrN2OS/c12-8-2-1-3-9(6-8)15-11-13-10(14-16-11)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyXACJGBGBVIMXIG-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.97
Rot. Bonds3

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

5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 65272175) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID65272175
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESBrc1cccc(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C11H9BrN2OS/c12-8-2-1-3-9(6-8)15-11-13-10(14-16-11)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyXACJGBGBVIMXIG-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-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (CID 65272175) is 5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is Brc1cccc(Oc2nc(C3CC3)ns2)c1.
What is the InChIKey of 5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is XACJGBGBVIMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-8-2-1-3-9(6-8)15-11-13-10(14-16-11)7-4-5-7/h1-3,6-7H,4-5H2.
What are the key properties of 5-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
5-(3-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-(3-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 65272175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).