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

C8H11F3N4O2S2 — CID 136538526

IUPAC5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCS(=O)(=O)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C8H11F3N4O2S2/c1-19(16,17)15-4-2-14(3-5-15)7-12-6(13-18-7)8(9,10)11/h2-5H2,1H3
InChIKeyXQRNFSURYSPHRR-UHFFFAOYSA-N
MW316.33 g/mol
LogP0.64
Rot. Bonds2

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

5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 136538526) has the molecular formula C8H11F3N4O2S2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID136538526
Molecular FormulaC8H11F3N4O2S2
Molecular Weight316.33 g/mol
Exact Mass316.03
IUPAC Name5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCS(=O)(=O)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C8H11F3N4O2S2/c1-19(16,17)15-4-2-14(3-5-15)7-12-6(13-18-7)8(9,10)11/h2-5H2,1H3
InChIKeyXQRNFSURYSPHRR-UHFFFAOYSA-N
XLogP0.64
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 136538526) is 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is CS(=O)(=O)N1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is XQRNFSURYSPHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2S2/c1-19(16,17)15-4-2-14(3-5-15)7-12-6(13-18-7)8(9,10)11/h2-5H2,1H3.
What are the key properties of 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 316.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 136538526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).