5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole

C6H7F3N2S — CID 59300522

IUPAC5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2S/c1-3(2)4-10-5(11-12-4)6(7,8)9/h3H,1-2H3
InChIKeyWKSDNFFAQZBRMO-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.68
Rot. Bonds1

About 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole

5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 59300522) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID59300522
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2S/c1-3(2)4-10-5(11-12-4)6(7,8)9/h3H,1-2H3
InChIKeyWKSDNFFAQZBRMO-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-propan-2-yl-3-(trifluoromethyl)-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-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 59300522) is 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole is CC(C)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is WKSDNFFAQZBRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3(2)4-10-5(11-12-4)6(7,8)9/h3H,1-2H3.
What are the key properties of 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 196.20 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 59300522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).