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

C8H10F3N3OS — CID 107305657

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2
InChIKeyYNPJSCYHBJUIDX-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.52
Rot. Bonds1

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

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (PubChem CID 107305657) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
PubChem CID107305657
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2
InChIKeyYNPJSCYHBJUIDX-UHFFFAOYSA-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 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (CID 107305657) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is OC1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The InChIKey is YNPJSCYHBJUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-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 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 107305657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).