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

C10H9BrN2OS — CID 65272123

IUPAC5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN2OS/c1-2-9-12-10(15-13-9)14-8-5-3-4-7(11)6-8/h3-6H,2H2,1H3
InChIKeyPBKYNGIVVFTXSD-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.66
Rot. Bonds3

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

5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole (PubChem CID 65272123) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole
PubChem CID65272123
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN2OS/c1-2-9-12-10(15-13-9)14-8-5-3-4-7(11)6-8/h3-6H,2H2,1H3
InChIKeyPBKYNGIVVFTXSD-UHFFFAOYSA-N
XLogP3.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.66
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-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole (CID 65272123) is 5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Oc2cccc(Br)c2)n1.
What is the InChIKey of 5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is PBKYNGIVVFTXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-2-9-12-10(15-13-9)14-8-5-3-4-7(11)6-8/h3-6H,2H2,1H3.
What are the key properties of 5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole?
5-(3-bromophenoxy)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 285.17 g/mol, XLogP of 3.66, 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-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 65272123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).