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

C10H14F3N3O2S — CID 107305726

IUPAC2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)8-14-9(19-15-8)16-3-1-7(2-4-16)18-6-5-17/h7,17H,1-6H2
InChIKeyHWQXUWYOXUHGBR-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.53
Rot. Bonds4

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

2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol (PubChem CID 107305726) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol
PubChem CID107305726
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)8-14-9(19-15-8)16-3-1-7(2-4-16)18-6-5-17/h7,17H,1-6H2
InChIKeyHWQXUWYOXUHGBR-UHFFFAOYSA-N
XLogP1.53
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyacetic acid
CID 107304342
3-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxypropan-1-amine
CID 107305431
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
[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305723
[5-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305725
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305740
[6,6-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305743
[6-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305754
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305759
5-[4-(2-Bromoethoxy)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306153
5-[4-(2-Chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306154

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol (CID 107305726) is 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol is OCCOC1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol?
The InChIKey is HWQXUWYOXUHGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)8-14-9(19-15-8)16-3-1-7(2-4-16)18-6-5-17/h7,17H,1-6H2.
What are the key properties of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol?
2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol has a molecular weight of 297.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 107305726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).