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

C7H10F3N4S+ — CID 2146068

IUPAC2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CC[NH2+]CC2)s1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14/h11H,1-4H2/p+1
InChIKeyHCHPSOYHPOLYCC-UHFFFAOYSA-O
MW239.25 g/mol
LogP-0.06
Rot. Bonds1

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

2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 2146068) has the molecular formula C7H10F3N4S+ and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID2146068
Molecular FormulaC7H10F3N4S+
Molecular Weight239.25 g/mol
Exact Mass239.06
IUPAC Name2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CC[NH2+]CC2)s1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14/h11H,1-4H2/p+1
InChIKeyHCHPSOYHPOLYCC-UHFFFAOYSA-O
XLogP-0.06
TPSA45.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 2146068) is 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CC[NH2+]CC2)s1.
What is the InChIKey of 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is HCHPSOYHPOLYCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9F3N4S/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14/h11H,1-4H2/p+1.
What are the key properties of 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 239.25 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 2146068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).