5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole

C10H8F2N2OS — CID 133425132

IUPAC5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H8F2N2OS/c1-2-9-13-10(16-14-9)15-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
InChIKeyGTPXLFZFEXKGCO-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.17
Rot. Bonds3

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

5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole (PubChem CID 133425132) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole
PubChem CID133425132
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H8F2N2OS/c1-2-9-13-10(16-14-9)15-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
InChIKeyGTPXLFZFEXKGCO-UHFFFAOYSA-N
XLogP3.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole (CID 133425132) is 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is GTPXLFZFEXKGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c1-2-9-13-10(16-14-9)15-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3.
What are the key properties of 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 242.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenoxy)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).