4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole

C7H9F3N4S — CID 91570194

IUPAC4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole
SMILESFC(F)(F)c1snnc1C1CNCCN1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)6-5(13-14-15-6)4-3-11-1-2-12-4/h4,11-12H,1-3H2
InChIKeySSDSUTXWPAYJJC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.79
Rot. Bonds1

About 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole

4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole (PubChem CID 91570194) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole.

Molecular Properties

Compound Name4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole
PubChem CID91570194
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole
SMILESFC(F)(F)c1snnc1C1CNCCN1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)6-5(13-14-15-6)4-3-11-1-2-12-4/h4,11-12H,1-3H2
InChIKeySSDSUTXWPAYJJC-UHFFFAOYSA-N
XLogP0.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole?
The IUPAC name of 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole (CID 91570194) is 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole.
What is the SMILES notation for 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole?
The canonical SMILES for 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole is FC(F)(F)c1snnc1C1CNCCN1.
What is the InChIKey of 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole?
The InChIKey is SSDSUTXWPAYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c8-7(9,10)6-5(13-14-15-6)4-3-11-1-2-12-4/h4,11-12H,1-3H2.
What are the key properties of 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole?
4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole has a molecular weight of 238.24 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-2-yl-5-(trifluoromethyl)thiadiazole is sourced from PubChem (CID 91570194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).