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

C11H8ClFN2OS — CID 133425388

IUPAC5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESFc1cc(Cl)ccc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H8ClFN2OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyWCNPVBLPLJOIIO-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.00
Rot. Bonds3

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

5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 133425388) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID133425388
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESFc1cc(Cl)ccc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H8ClFN2OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyWCNPVBLPLJOIIO-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (CID 133425388) is 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is Fc1cc(Cl)ccc1Oc1nc(C2CC2)ns1.
What is the InChIKey of 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is WCNPVBLPLJOIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 270.72 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).