3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole

C10H8F2N2OS — CID 20595459

IUPAC3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(-c2ccc(OC(F)F)cc2)ns1
InChIInChI=1S/C10H8F2N2OS/c1-6-13-9(14-16-6)7-2-4-8(5-3-7)15-10(11)12/h2-5,10H,1H3
InChIKeyGCFYXJSMZNPBSQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.11
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole

3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole (PubChem CID 20595459) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole
PubChem CID20595459
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(-c2ccc(OC(F)F)cc2)ns1
InChIInChI=1S/C10H8F2N2OS/c1-6-13-9(14-16-6)7-2-4-8(5-3-7)15-10(11)12/h2-5,10H,1H3
InChIKeyGCFYXJSMZNPBSQ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(difluoromethoxy)phenyl]-5-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 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole (CID 20595459) is 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole is Cc1nc(-c2ccc(OC(F)F)cc2)ns1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole?
The InChIKey is GCFYXJSMZNPBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c1-6-13-9(14-16-6)7-2-4-8(5-3-7)15-10(11)12/h2-5,10H,1H3.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole?
3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole has a molecular weight of 242.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 20595459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).