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

C7H8F3N3OS — CID 107305739

IUPAC(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(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/t4-/m0/s1
InChIKeyYKFQGAWLHDAFRI-BYPYZUCNSA-N
MW239.22 g/mol
LogP1.13
Rot. Bonds1

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

(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 107305739) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
PubChem CID107305739
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(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/t4-/m0/s1
InChIKeyYKFQGAWLHDAFRI-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol (CID 107305739) is (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol is O[C@H]1CCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is YKFQGAWLHDAFRI-BYPYZUCNSA-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/t4-/m0/s1.
What are the key properties of (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
(3S)-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 (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 107305739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).