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

C11H10F2N2OS — CID 133425363

IUPAC5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C11H10F2N2OS/c1-6(2)10-14-11(17-15-10)16-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3
InChIKeyBBYGHACXCQGAEH-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.73
Rot. Bonds3

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

5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133425363) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133425363
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C11H10F2N2OS/c1-6(2)10-14-11(17-15-10)16-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3
InChIKeyBBYGHACXCQGAEH-UHFFFAOYSA-N
XLogP3.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole (CID 133425363) is 5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(Oc2ccc(F)cc2F)n1.
What is the InChIKey of 5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is BBYGHACXCQGAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/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-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 256.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133425363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).