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

C8H11F3N4S — CID 83959829

IUPAC3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nc(CN2CCNCC2)ns1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)7-13-6(14-16-7)5-15-3-1-12-2-4-15/h12H,1-5H2
InChIKeyAQQQSAGTGGBBGA-UHFFFAOYSA-N
MW252.26 g/mol
LogP0.96
Rot. Bonds2

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

3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 83959829) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID83959829
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nc(CN2CCNCC2)ns1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)7-13-6(14-16-7)5-15-3-1-12-2-4-15/h12H,1-5H2
InChIKeyAQQQSAGTGGBBGA-UHFFFAOYSA-N
XLogP0.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959828
[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
CID 138552150
N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959823
3-(Piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959825
N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959830
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959831
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]propan-1-amine
CID 83959832
2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959833
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
3-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
CID 107304468

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole (CID 83959829) is 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nc(CN2CCNCC2)ns1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is AQQQSAGTGGBBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)7-13-6(14-16-7)5-15-3-1-12-2-4-15/h12H,1-5H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole?
3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 252.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 83959829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).