5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol

C19H17F3N2O3S — CID 90766327

IUPAC5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1c(N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)ccc2scnc12
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)27-14-3-1-2-13(10-14)26-12-6-8-24(9-7-12)15-4-5-16-17(18(15)25)23-11-28-16/h1-5,10-12,25H,6-9H2
InChIKeyXVECMRUFTKATPW-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.95
Rot. Bonds4

About 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol

5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol (PubChem CID 90766327) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
PubChem CID90766327
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1c(N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)ccc2scnc12
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)27-14-3-1-2-13(10-14)26-12-6-8-24(9-7-12)15-4-5-16-17(18(15)25)23-11-28-16/h1-5,10-12,25H,6-9H2
InChIKeyXVECMRUFTKATPW-UHFFFAOYSA-N
XLogP4.95
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The IUPAC name of 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol (CID 90766327) is 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol is Oc1c(N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)ccc2scnc12.
What is the InChIKey of 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The InChIKey is XVECMRUFTKATPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c20-19(21,22)27-14-3-1-2-13(10-14)26-12-6-8-24(9-7-12)15-4-5-16-17(18(15)25)23-11-28-16/h1-5,10-12,25H,6-9H2.
What are the key properties of 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol?
5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol has a molecular weight of 410.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 90766327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).