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

C7H8F3N3S — CID 126973553

IUPAC5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CCCC2)n1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)5-11-6(14-12-5)13-3-1-2-4-13/h1-4H2
InChIKeyYUILJODCCHPPJY-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.16
Rot. Bonds1

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

5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 126973553) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID126973553
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CCCC2)n1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)5-11-6(14-12-5)13-3-1-2-4-13/h1-4H2
InChIKeyYUILJODCCHPPJY-UHFFFAOYSA-N
XLogP2.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 129349481
3-Chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole
CID 162778546
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanenitrile
CID 107304504
N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304923
N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304937
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine
CID 107305312
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 107305313
5-(3-Chloropyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306055
5-[2-(Bromomethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306114
5-(3-Bromopyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306116
N-(2-bromoethyl)-N-butyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306118
N-(2-bromoethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306128

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 126973553) is 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(N2CCCC2)n1.
What is the InChIKey of 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is YUILJODCCHPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)5-11-6(14-12-5)13-3-1-2-4-13/h1-4H2.
What are the key properties of 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 223.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 126973553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).