5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole

C11H15F3N4S — CID 107305314

IUPAC5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CCCC2C2CCCN2)n1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)9-16-10(19-17-9)18-6-2-4-8(18)7-3-1-5-15-7/h7-8,15H,1-6H2
InChIKeyMDAQLCPDMUYHTA-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.28
Rot. Bonds2

About 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole

5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107305314) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107305314
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CCCC2C2CCCN2)n1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)9-16-10(19-17-9)18-6-2-4-8(18)7-3-1-5-15-7/h7-8,15H,1-6H2
InChIKeyMDAQLCPDMUYHTA-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-1,2,4-thiadiazole
CID 18999097
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304686
N-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304823
N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304831
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304858
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304860
N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304873
N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304923
N'-cyclopentyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304949
N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305066
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305067
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305289

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107305314) is 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(N2CCCC2C2CCCN2)n1.
What is the InChIKey of 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is MDAQLCPDMUYHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c12-11(13,14)9-16-10(19-17-9)18-6-2-4-8(18)7-3-1-5-15-7/h7-8,15H,1-6H2.
What are the key properties of 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 292.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107305314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).