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

C7H9F3N4S — CID 2146069

IUPAC2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCNCC2)s1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14/h11H,1-4H2
InChIKeyHCHPSOYHPOLYCC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.97
Rot. Bonds1

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

2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 2146069) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID2146069
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCNCC2)s1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14/h11H,1-4H2
InChIKeyHCHPSOYHPOLYCC-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

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 2146069) is 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CCNCC2)s1.
What is the InChIKey of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is HCHPSOYHPOLYCC-UHFFFAOYSA-N. 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.
What are the key properties of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-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 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 2146069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).