2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride

C7H10ClF3N4S — CID 75481478

IUPAC2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride
SMILESCl.FC(F)(F)c1nnc(N2CCNCC2)s1
InChIInChI=1S/C7H9F3N4S.ClH/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14;/h11H,1-4H2;1H
InChIKeyZVLRNJRFSRXQLO-UHFFFAOYSA-N
MW274.70 g/mol
LogP1.39
Rot. Bonds1

About 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride

2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride (PubChem CID 75481478) has the molecular formula C7H10ClF3N4S and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride
PubChem CID75481478
Molecular FormulaC7H10ClF3N4S
Molecular Weight274.70 g/mol
Exact Mass274.03
IUPAC Name2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride
SMILESCl.FC(F)(F)c1nnc(N2CCNCC2)s1
InChIInChI=1S/C7H9F3N4S.ClH/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14;/h11H,1-4H2;1H
InChIKeyZVLRNJRFSRXQLO-UHFFFAOYSA-N
XLogP1.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride (CID 75481478) is 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride is Cl.FC(F)(F)c1nnc(N2CCNCC2)s1.
What is the InChIKey of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride?
The InChIKey is ZVLRNJRFSRXQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S.ClH/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14;/h11H,1-4H2;1H.
What are the key properties of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride?
2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride has a molecular weight of 274.70 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 75481478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).