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

C7H8F3N3OS — CID 107305696

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-6(15-12-5)13-2-1-4(14)3-13/h4,14H,1-3H2
InChIKeyYKFQGAWLHDAFRI-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.13
Rot. Bonds1

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

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 107305696) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
PubChem CID107305696
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-6(15-12-5)13-2-1-4(14)3-13/h4,14H,1-3H2
InChIKeyYKFQGAWLHDAFRI-UHFFFAOYSA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673242
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305656
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305657
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305674
2-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 107305678
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305687
1-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305690

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol (CID 107305696) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol is OC1CCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is YKFQGAWLHDAFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-6(15-12-5)13-2-1-4(14)3-13/h4,14H,1-3H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 239.22 g/mol, XLogP of 1.13, 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-ol is sourced from PubChem (CID 107305696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).