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

C5H6F3N3S — CID 82399163

IUPAC2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine
SMILESNCCc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)4-10-3(1-2-9)12-11-4/h1-2,9H2
InChIKeyFRIHBFOIJVRMOG-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.06
Rot. Bonds2

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

2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine (PubChem CID 82399163) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine
PubChem CID82399163
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC Name2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine
SMILESNCCc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)4-10-3(1-2-9)12-11-4/h1-2,9H2
InChIKeyFRIHBFOIJVRMOG-UHFFFAOYSA-N
XLogP1.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 68235669
[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959828
3-Propyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91804931
5-Methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
CID 135170702
5-Methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 135170703
[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
CID 138552150
3-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 61392887
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269158
3-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271080
3-ethyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274437

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine (CID 82399163) is 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine is NCCc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine?
The InChIKey is FRIHBFOIJVRMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c6-5(7,8)4-10-3(1-2-9)12-11-4/h1-2,9H2.
What are the key properties of 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine?
2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine has a molecular weight of 197.18 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine is sourced from PubChem (CID 82399163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).