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

C11H10ClFN2OS — CID 133425392

IUPAC5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H10ClFN2OS/c1-6(2)10-14-11(17-15-10)16-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3
InChIKeyDMFXEDLBKCHSIE-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.25
Rot. Bonds3

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

5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133425392) has the molecular formula C11H10ClFN2OS and a molecular weight of 272.73 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133425392
Molecular FormulaC11H10ClFN2OS
Molecular Weight272.73 g/mol
Exact Mass272.02
IUPAC Name5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H10ClFN2OS/c1-6(2)10-14-11(17-15-10)16-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3
InChIKeyDMFXEDLBKCHSIE-UHFFFAOYSA-N
XLogP4.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.25
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-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole (CID 133425392) is 5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(Oc2ccc(Cl)cc2F)n1.
What is the InChIKey of 5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is DMFXEDLBKCHSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS/c1-6(2)10-14-11(17-15-10)16-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3.
What are the key properties of 5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
5-(4-chloro-2-fluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 272.73 g/mol, XLogP of 4.25, 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-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133425392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).