4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol

C19H17F3N2O2S — CID 67275542

IUPAC4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol
SMILESOc1cc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2ncsc2c1
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)14-3-1-2-4-16(14)26-13-5-7-24(8-6-13)15-9-12(25)10-17-18(15)23-11-27-17/h1-4,9-11,13,25H,5-8H2
InChIKeyGNMAHHQLIFCKDJ-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.07
Rot. Bonds3

About 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol

4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol (PubChem CID 67275542) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol
PubChem CID67275542
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol
SMILESOc1cc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2ncsc2c1
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)14-3-1-2-4-16(14)26-13-5-7-24(8-6-13)15-9-12(25)10-17-18(15)23-11-27-17/h1-4,9-11,13,25H,5-8H2
InChIKeyGNMAHHQLIFCKDJ-UHFFFAOYSA-N
XLogP5.07
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[2-(Trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 67275338
4-[4-[3-(Trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-7-ol
CID 67275451
4-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol
CID 67275712
4-[4-[[2-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazol-6-ol
CID 69278731
4-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazol-7-ol
CID 69278926
4-[4-[[4-(1,1,2,2,2-Pentafluoroethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 87333464
4-[4-[4-(1,1,2,2,2-Pentafluoroethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 87333626
4-[4-[3-(1,1,2,2,2-Pentafluoroethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol
CID 87333988
4-[4-[[4-(1,1,2,2,2-Pentafluoroethyl)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazol-6-ol
CID 87764880
5-[4-(4-Fluorophenoxy)butyl]-2-(methylamino)-4-piperidin-1-yl-1,3-benzothiazol-6-ol
CID 88387701
6-[4-[4-(1,1,2,2,2-Pentafluoroethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 90764790
6-[4-[[4-(Trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazol-5-ol
CID 91003583

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol?
The IUPAC name of 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol (CID 67275542) is 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol is Oc1cc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2ncsc2c1.
What is the InChIKey of 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol?
The InChIKey is GNMAHHQLIFCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c20-19(21,22)14-3-1-2-4-16(14)26-13-5-7-24(8-6-13)15-9-12(25)10-17-18(15)23-11-27-17/h1-4,9-11,13,25H,5-8H2.
What are the key properties of 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol?
4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol has a molecular weight of 394.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 67275542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).