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

C8H12F3N3S — CID 83959823

IUPACN-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nsc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3S/c1-3-14(4-2)5-6-12-7(15-13-6)8(9,10)11/h3-5H2,1-2H3
InChIKeyVOKUOWCFPBUKPT-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.40
Rot. Bonds4

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

N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine (PubChem CID 83959823) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
PubChem CID83959823
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC NameN-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nsc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3S/c1-3-14(4-2)5-6-12-7(15-13-6)8(9,10)11/h3-5H2,1-2H3
InChIKeyVOKUOWCFPBUKPT-UHFFFAOYSA-N
XLogP2.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959828
[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
CID 138552150
Ethane;5-methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 144394777
N,N-dimethyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959824
3-(Piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959825
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
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine (CID 83959823) is N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine is CCN(CC)Cc1nsc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The InChIKey is VOKUOWCFPBUKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-3-14(4-2)5-6-12-7(15-13-6)8(9,10)11/h3-5H2,1-2H3.
What are the key properties of N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine has a molecular weight of 239.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 83959823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).