5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole

C11H10BrFN2OS — CID 65272287

IUPAC5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H10BrFN2OS/c1-2-3-10-14-11(17-15-10)16-9-5-4-7(13)6-8(9)12/h4-6H,2-3H2,1H3
InChIKeyOZQVUHBSLXMDOR-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.18
Rot. Bonds4

About 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole

5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole (PubChem CID 65272287) has the molecular formula C11H10BrFN2OS and a molecular weight of 317.18 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole
PubChem CID65272287
Molecular FormulaC11H10BrFN2OS
Molecular Weight317.18 g/mol
Exact Mass315.97
IUPAC Name5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H10BrFN2OS/c1-2-3-10-14-11(17-15-10)16-9-5-4-7(13)6-8(9)12/h4-6H,2-3H2,1H3
InChIKeyOZQVUHBSLXMDOR-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole (CID 65272287) is 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole is CCCc1nsc(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole?
The InChIKey is OZQVUHBSLXMDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2OS/c1-2-3-10-14-11(17-15-10)16-9-5-4-7(13)6-8(9)12/h4-6H,2-3H2,1H3.
What are the key properties of 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole?
5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole has a molecular weight of 317.18 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenoxy)-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 65272287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).