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

C11H8BrFN2OS — CID 81331467

IUPAC5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESFc1cc(Br)cc(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C11H8BrFN2OS/c12-7-3-8(13)5-9(4-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyBBXGFDLYLLCXSP-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.11
Rot. Bonds3

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

5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 81331467) has the molecular formula C11H8BrFN2OS and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID81331467
Molecular FormulaC11H8BrFN2OS
Molecular Weight315.17 g/mol
Exact Mass313.95
IUPAC Name5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESFc1cc(Br)cc(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C11H8BrFN2OS/c12-7-3-8(13)5-9(4-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyBBXGFDLYLLCXSP-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (CID 81331467) is 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is Fc1cc(Br)cc(Oc2nc(C3CC3)ns2)c1.
What is the InChIKey of 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is BBXGFDLYLLCXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2OS/c12-7-3-8(13)5-9(4-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 315.17 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 81331467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).