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

C9H6F2N2OS — CID 133425123

IUPAC5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C9H6F2N2OS/c1-5-12-9(15-13-5)14-6-2-3-7(10)8(11)4-6/h2-4H,1H3
InChIKeyAGFMEDHHXZENBN-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.92
Rot. Bonds2

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

5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole (PubChem CID 133425123) has the molecular formula C9H6F2N2OS and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole
PubChem CID133425123
Molecular FormulaC9H6F2N2OS
Molecular Weight228.22 g/mol
Exact Mass228.02
IUPAC Name5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C9H6F2N2OS/c1-5-12-9(15-13-5)14-6-2-3-7(10)8(11)4-6/h2-4H,1H3
InChIKeyAGFMEDHHXZENBN-UHFFFAOYSA-N
XLogP2.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole (CID 133425123) is 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole is Cc1nsc(Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The InChIKey is AGFMEDHHXZENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2OS/c1-5-12-9(15-13-5)14-6-2-3-7(10)8(11)4-6/h2-4H,1H3.
What are the key properties of 5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole?
5-(3,4-difluorophenoxy)-3-methyl-1,2,4-thiadiazole has a molecular weight of 228.22 g/mol, XLogP of 2.92, 2 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-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).