5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole

C7H9F3N4S — CID 141371462

IUPAC5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole
SMILESFC(F)(F)c1nnsc1N1CCNCC1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-6(15-13-12-5)14-3-1-11-2-4-14/h11H,1-4H2
InChIKeyHEESQNNOWZSOST-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.97
Rot. Bonds1

About 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole

5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole (PubChem CID 141371462) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole.

Molecular Properties

Compound Name5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole
PubChem CID141371462
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole
SMILESFC(F)(F)c1nnsc1N1CCNCC1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-6(15-13-12-5)14-3-1-11-2-4-14/h11H,1-4H2
InChIKeyHEESQNNOWZSOST-UHFFFAOYSA-N
XLogP0.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-piperazin-1-yl-4-(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

Related Compounds

N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183486
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183660
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62183661
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184386
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62184568
N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
CID 62968272
N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
CID 62968273
N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
CID 62968274

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole?
The IUPAC name of 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole (CID 141371462) is 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole.
What is the SMILES notation for 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole?
The canonical SMILES for 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole is FC(F)(F)c1nnsc1N1CCNCC1.
What is the InChIKey of 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole?
The InChIKey is HEESQNNOWZSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c8-7(9,10)5-6(15-13-12-5)14-3-1-11-2-4-14/h11H,1-4H2.
What are the key properties of 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole?
5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole has a molecular weight of 238.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-4-(trifluoromethyl)thiadiazole is sourced from PubChem (CID 141371462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).