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

C9H13F3N4S — CID 107306302

IUPAC2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-14-8(17-15-7)16-4-2-6(5-16)1-3-13/h6H,1-5,13H2
InChIKeyVQNZMAPYLJYXBJ-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.73
Rot. Bonds3

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

2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine (PubChem CID 107306302) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine
PubChem CID107306302
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-14-8(17-15-7)16-4-2-6(5-16)1-3-13/h6H,1-5,13H2
InChIKeyVQNZMAPYLJYXBJ-UHFFFAOYSA-N
XLogP1.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine (CID 107306302) is 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine is NCCC1CCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine?
The InChIKey is VQNZMAPYLJYXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)7-14-8(17-15-7)16-4-2-6(5-16)1-3-13/h6H,1-5,13H2.
What are the key properties of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine?
2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine has a molecular weight of 266.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 107306302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).