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

C5H6F3N3S — CID 82399161

IUPAC1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
SMILESCC(N)c1nsc(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3S/c1-2(9)3-10-4(12-11-3)5(6,7)8/h2H,9H2,1H3
InChIKeyRFZOBHWTNJZUCI-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.58
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine (PubChem CID 82399161) has the molecular formula C5H6F3N3S and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
PubChem CID82399161
Molecular FormulaC5H6F3N3S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC Name1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
SMILESCC(N)c1nsc(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3S/c1-2(9)3-10-4(12-11-3)5(6,7)8/h2H,9H2,1H3
InChIKeyRFZOBHWTNJZUCI-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.58
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
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
3,3,3-Trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
CID 82394683
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-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
2-Fluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
CID 84022031
3-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854488

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine (CID 82399161) is 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine is CC(N)c1nsc(C(F)(F)F)n1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine?
The InChIKey is RFZOBHWTNJZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-2(9)3-10-4(12-11-3)5(6,7)8/h2H,9H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine?
1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine has a molecular weight of 197.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine is sourced from PubChem (CID 82399161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).