2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine

C6H5F6N3S — CID 83959833

IUPAC2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C6H5F6N3S/c7-5(8,9)2-13-1-3-14-4(16-15-3)6(10,11)12/h13H,1-2H2
InChIKeyUAUCONKBESXVDX-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.21
Rot. Bonds3

About 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine (PubChem CID 83959833) has the molecular formula C6H5F6N3S and a molecular weight of 265.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
PubChem CID83959833
Molecular FormulaC6H5F6N3S
Molecular Weight265.18 g/mol
Exact Mass265.01
IUPAC Name2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C6H5F6N3S/c7-5(8,9)2-13-1-3-14-4(16-15-3)6(10,11)12/h13H,1-2H2
InChIKeyUAUCONKBESXVDX-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959828
[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
CID 138552150
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268372
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 79099578
1-[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82399161
2-[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82399162
2-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine
CID 82399163
N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959823
N,N-dimethyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959824
3-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959829
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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine (CID 83959833) is 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine is FC(F)(F)CNCc1nsc(C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The InChIKey is UAUCONKBESXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6N3S/c7-5(8,9)2-13-1-3-14-4(16-15-3)6(10,11)12/h13H,1-2H2.
What are the key properties of 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine has a molecular weight of 265.18 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 83959833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).