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

C7H9F3N4S — CID 107305312

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-12-6(15-13-5)14-2-1-4(11)3-14/h4H,1-3,11H2
InChIKeyOWWMTQRQTQRQPX-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.09
Rot. Bonds1

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

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine (PubChem CID 107305312) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine
PubChem CID107305312
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-12-6(15-13-5)14-2-1-4(11)3-14/h4H,1-3,11H2
InChIKeyOWWMTQRQTQRQPX-UHFFFAOYSA-N
XLogP1.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine (CID 107305312) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine is NC1CCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine?
The InChIKey is OWWMTQRQTQRQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c8-7(9,10)5-12-6(15-13-5)14-2-1-4(11)3-14/h4H,1-3,11H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine has a molecular weight of 238.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine is sourced from PubChem (CID 107305312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).