4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole

C19H17F3N2O2S — CID 142694199

IUPAC4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole
SMILESFC(F)(F)Oc1ccc(OC2CCN(c3cccc4scnc34)CC2)cc1
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)26-15-6-4-13(5-7-15)25-14-8-10-24(11-9-14)16-2-1-3-17-18(16)23-12-27-17/h1-7,12,14H,8-11H2
InChIKeyYWZZUBWZTNBNCJ-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.24
Rot. Bonds4

About 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole

4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole (PubChem CID 142694199) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole
PubChem CID142694199
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole
SMILESFC(F)(F)Oc1ccc(OC2CCN(c3cccc4scnc34)CC2)cc1
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)26-15-6-4-13(5-7-15)25-14-8-10-24(11-9-14)16-2-1-3-17-18(16)23-12-27-17/h1-7,12,14H,8-11H2
InChIKeyYWZZUBWZTNBNCJ-UHFFFAOYSA-N
XLogP5.24
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[4-(Benzothiazol-2-yloxy)-phenoxy]-ethyl}-piperidin-4-ol
CID 11303210
2-{4-[2-(Piperidin-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 24901580
4-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}morpholine
CID 24901583
2-{4-[3-(Piperidin-1-yl)propoxy]phenoxy}-1,3-benzothiazole
CID 24901594
2-[1-(3-Phenoxypropyl)piperidin-4-yl]-1,3-benzothiazole
CID 17590403
2-[4-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine
CID 44480545
2-[4-[2-[4-(Trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine
CID 58325843
4-[4-[3-(Trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-7-ol
CID 67275451
4-[4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 67275542
2-((4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl)methyl)benzo[d]thiazole
CID 76187843
4-[4-[4-(1,1,2,2,2-Pentafluoroethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 87333626
[4-(1,1,3,3,3-pentafluoropropoxy)phenyl] N-(1,3-benzothiazol-6-yl)-N-(2-methyl-2-sulfanylpropyl)carbamate
CID 87447177

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole (CID 142694199) is 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole is FC(F)(F)Oc1ccc(OC2CCN(c3cccc4scnc34)CC2)cc1.
What is the InChIKey of 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is YWZZUBWZTNBNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c20-19(21,22)26-15-6-4-13(5-7-15)25-14-8-10-24(11-9-14)16-2-1-3-17-18(16)23-12-27-17/h1-7,12,14H,8-11H2.
What are the key properties of 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole?
4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 394.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 142694199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).