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

C8H10F3N3OS — CID 107305759

IUPAC(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-2-5(15)4-14/h5,15H,1-4H2/t5-/m0/s1
InChIKeyWKJYZLFMOFCCMV-YFKPBYRVSA-N
MW253.25 g/mol
LogP1.52
Rot. Bonds1

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

(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol (PubChem CID 107305759) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
PubChem CID107305759
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-2-5(15)4-14/h5,15H,1-4H2/t5-/m0/s1
InChIKeyWKJYZLFMOFCCMV-YFKPBYRVSA-N
XLogP1.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.52
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]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol (CID 107305759) is (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol is O[C@H]1CCCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol?
The InChIKey is WKJYZLFMOFCCMV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-2-5(15)4-14/h5,15H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol?
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol has a molecular weight of 253.25 g/mol, XLogP of 1.52, 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]piperidin-3-ol is sourced from PubChem (CID 107305759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).