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

C9H12F3N3OS — CID 107305740

IUPAC3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCC1CN(c2nc(C(F)(F)F)ns2)CCC1O
InChIInChI=1S/C9H12F3N3OS/c1-5-4-15(3-2-6(5)16)8-13-7(14-17-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyOXLHUJRPQPBARH-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.76
Rot. Bonds1

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

3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (PubChem CID 107305740) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
PubChem CID107305740
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCC1CN(c2nc(C(F)(F)F)ns2)CCC1O
InChIInChI=1S/C9H12F3N3OS/c1-5-4-15(3-2-6(5)16)8-13-7(14-17-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyOXLHUJRPQPBARH-UHFFFAOYSA-N
XLogP1.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 96081193
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
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol
CID 107305665
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol
CID 107305669
3-[[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol
CID 107305708
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol
CID 107305726
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol
CID 107305727
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305730
4-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 107305734
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305736
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol
CID 107305758

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (CID 107305740) is 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is CC1CN(c2nc(C(F)(F)F)ns2)CCC1O.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The InChIKey is OXLHUJRPQPBARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-5-4-15(3-2-6(5)16)8-13-7(14-17-8)9(10,11)12/h5-6,16H,2-4H2,1H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol has a molecular weight of 267.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 107305740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).