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

C10H8F2N2OS — CID 137482044

IUPAC2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(Oc2ccc(F)cc2F)s1
InChIInChI=1S/C10H8F2N2OS/c1-2-9-13-14-10(16-9)15-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3
InChIKeyHSLXZHUPDPZDTC-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.17
Rot. Bonds3

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

2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole (PubChem CID 137482044) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole
PubChem CID137482044
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(Oc2ccc(F)cc2F)s1
InChIInChI=1S/C10H8F2N2OS/c1-2-9-13-14-10(16-9)15-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3
InChIKeyHSLXZHUPDPZDTC-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

Analyze 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-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 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole (CID 137482044) is 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole is CCc1nnc(Oc2ccc(F)cc2F)s1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole?
The InChIKey is HSLXZHUPDPZDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c1-2-9-13-14-10(16-9)15-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole?
2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-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 2-(2,4-difluorophenoxy)-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 137482044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).