1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C26H24F3N3O2S — CID 57448279

IUPAC1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C26H24F3N3O2S/c27-26(28,29)20-4-1-3-19(17-20)25(33)11-15-32(16-12-25)14-10-18-6-8-21(9-7-18)34-24-31-23-22(35-24)5-2-13-30-23/h1-9,13,17,33H,10-12,14-16H2
InChIKeyWMCIARZNAOPMBG-UHFFFAOYSA-N
MW499.56 g/mol
LogP6.03
Rot. Bonds6

About 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 57448279) has the molecular formula C26H24F3N3O2S and a molecular weight of 499.56 g/mol. Its IUPAC name is 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID57448279
Molecular FormulaC26H24F3N3O2S
Molecular Weight499.56 g/mol
Exact Mass499.15
IUPAC Name1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C26H24F3N3O2S/c27-26(28,29)20-4-1-3-19(17-20)25(33)11-15-32(16-12-25)14-10-18-6-8-21(9-7-18)34-24-31-23-22(35-24)5-2-13-30-23/h1-9,13,17,33H,10-12,14-16H2
InChIKeyWMCIARZNAOPMBG-UHFFFAOYSA-N
XLogP6.03
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 57448279) is 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1.
What is the InChIKey of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is WMCIARZNAOPMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2S/c27-26(28,29)20-4-1-3-19(17-20)25(33)11-15-32(16-12-25)14-10-18-6-8-21(9-7-18)34-24-31-23-22(35-24)5-2-13-30-23/h1-9,13,17,33H,10-12,14-16H2.
What are the key properties of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 499.56 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 57448279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).