5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole

C11H10BrClN2OS — CID 65272289

IUPAC5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H10BrClN2OS/c1-6(2)10-14-11(17-15-10)16-9-5-7(12)3-4-8(9)13/h3-6H,1-2H3
InChIKeyQKORJJMDRKNMIQ-UHFFFAOYSA-N
MW333.64 g/mol
LogP4.87
Rot. Bonds3

About 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole

5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 65272289) has the molecular formula C11H10BrClN2OS and a molecular weight of 333.64 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID65272289
Molecular FormulaC11H10BrClN2OS
Molecular Weight333.64 g/mol
Exact Mass331.94
IUPAC Name5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H10BrClN2OS/c1-6(2)10-14-11(17-15-10)16-9-5-7(12)3-4-8(9)13/h3-6H,1-2H3
InChIKeyQKORJJMDRKNMIQ-UHFFFAOYSA-N
XLogP4.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole (CID 65272289) is 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is QKORJJMDRKNMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2OS/c1-6(2)10-14-11(17-15-10)16-9-5-7(12)3-4-8(9)13/h3-6H,1-2H3.
What are the key properties of 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 333.64 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chlorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 65272289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).