4-methyl-5-(trifluoromethyl)thiadiazole

C4H3F3N2S — CID 141295039

IUPAC4-methyl-5-(trifluoromethyl)thiadiazole
SMILESCc1nnsc1C(F)(F)F
InChIInChI=1S/C4H3F3N2S/c1-2-3(4(5,6)7)10-9-8-2/h1H3
InChIKeyKSUHYYQDHCAXCS-UHFFFAOYSA-N
MW168.14 g/mol
LogP1.87
Rot. Bonds

About 4-methyl-5-(trifluoromethyl)thiadiazole

4-methyl-5-(trifluoromethyl)thiadiazole (PubChem CID 141295039) has the molecular formula C4H3F3N2S and a molecular weight of 168.14 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)thiadiazole
PubChem CID141295039
Molecular FormulaC4H3F3N2S
Molecular Weight168.14 g/mol
Exact Mass168.00
IUPAC Name4-methyl-5-(trifluoromethyl)thiadiazole
SMILESCc1nnsc1C(F)(F)F
InChIInChI=1S/C4H3F3N2S/c1-2-3(4(5,6)7)10-9-8-2/h1H3
InChIKeyKSUHYYQDHCAXCS-UHFFFAOYSA-N
XLogP1.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(trifluoromethyl)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 4-methyl-5-(trifluoromethyl)thiadiazole?
The IUPAC name of 4-methyl-5-(trifluoromethyl)thiadiazole (CID 141295039) is 4-methyl-5-(trifluoromethyl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)thiadiazole?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)thiadiazole is Cc1nnsc1C(F)(F)F.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)thiadiazole?
The InChIKey is KSUHYYQDHCAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S/c1-2-3(4(5,6)7)10-9-8-2/h1H3.
What are the key properties of 4-methyl-5-(trifluoromethyl)thiadiazole?
4-methyl-5-(trifluoromethyl)thiadiazole has a molecular weight of 168.14 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)thiadiazole is sourced from PubChem (CID 141295039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).