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

C10H8BrClN2OS — CID 65272235

IUPAC5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C10H8BrClN2OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3
InChIKeyICEVZYIZMODBEN-UHFFFAOYSA-N
MW319.61 g/mol
LogP4.31
Rot. Bonds3

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

5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole (PubChem CID 65272235) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole
PubChem CID65272235
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC Name5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C10H8BrClN2OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3
InChIKeyICEVZYIZMODBEN-UHFFFAOYSA-N
XLogP4.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 54.31
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-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole (CID 65272235) is 5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is ICEVZYIZMODBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3.
What are the key properties of 5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole?
5-(5-bromo-2-chlorophenoxy)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 319.61 g/mol, XLogP of 4.31, 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-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 65272235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).