6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol

C19H17F3N2O3S — CID 91404096

IUPAC6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol
SMILESOc1cc2ncsc2cc1N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)27-14-3-1-12(2-4-14)26-13-5-7-24(8-6-13)16-10-18-15(9-17(16)25)23-11-28-18/h1-4,9-11,13,25H,5-8H2
InChIKeySELDVLFBRWUSSU-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.95
Rot. Bonds4

About 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol

6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol (PubChem CID 91404096) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol
PubChem CID91404096
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol
SMILESOc1cc2ncsc2cc1N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)27-14-3-1-12(2-4-14)26-13-5-7-24(8-6-13)16-10-18-15(9-17(16)25)23-11-28-18/h1-4,9-11,13,25H,5-8H2
InChIKeySELDVLFBRWUSSU-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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Related Compounds

5-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 90766327
2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
CID 70873529
5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole
CID 175248232
3-[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]propane-1,2-diol
CID 152737986
4-[4-[6-[4-(trifluoromethoxy)phenyl]hexyl]piperidin-1-yl]-1,3-benzothiazole
CID 174498448
5-piperidin-4-yloxy-1,3-benzothiazole
CID 84697896
4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
CID 18357038
2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
[(2R)-2-hydroxy-2-methyl-3-[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]propyl] methanesulfonate
CID 53345567
triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 167314568
2-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 91359113
3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 163356722

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol?
The IUPAC name of 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol (CID 91404096) is 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol.
What is the SMILES notation for 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol?
The canonical SMILES for 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol is Oc1cc2ncsc2cc1N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol?
The InChIKey is SELDVLFBRWUSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c20-19(21,22)27-14-3-1-12(2-4-14)26-13-5-7-24(8-6-13)16-10-18-15(9-17(16)25)23-11-28-18/h1-4,9-11,13,25H,5-8H2.
What are the key properties of 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol?
6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-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 6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol is sourced from PubChem (CID 91404096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).