1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C19H16F3N3O2S — CID 71798750

IUPAC1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)12-5-6-16(23-11-12)27-13-7-9-25(10-8-13)18(26)17-24-14-3-1-2-4-15(14)28-17/h1-6,11,13H,7-10H2
InChIKeyZPZMXXXTGQYTGY-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.39
Rot. Bonds3

About 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798750) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798750
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)12-5-6-16(23-11-12)27-13-7-9-25(10-8-13)18(26)17-24-14-3-1-2-4-15(14)28-17/h1-6,11,13H,7-10H2
InChIKeyZPZMXXXTGQYTGY-UHFFFAOYSA-N
XLogP4.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluorobenzo[d]thiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 16032531
2-(2-Phenoxypyridin-3-Yl)[1,3]thiazolo[5,4-C]pyridine
CID 121231473
N-(4,6-Difluoro-1,3-benzothiazol-2-YL)-3-phenoxy-N-[(pyridin-3-YL)methyl]propanamide
CID 16032524
N-[4-[[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]oxy]phenyl]acetamide
CID 155528179
N-(4-fluorobenzo[d]thiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 16032356
2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 25122716
1,3-Benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 58548111
2-phenoxy-1-[(2R)-2-[2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 67356466
[4-(4-Methoxyphenyl)piperazin-1-yl]-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
CID 127047400
N-[(2-isopropoxyphenyl)methyl]thiazolo[5,4-c]pyridine-2-carboxamide
CID 9927392
2-(1H-indol-1-yl)-1-(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)ethanone
CID 71798689
(2-Phenylthiazol-4-yl)(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 71798690

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798750) is 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is ZPZMXXXTGQYTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)12-5-6-16(23-11-12)27-13-7-9-25(10-8-13)18(26)17-24-14-3-1-2-4-15(14)28-17/h1-6,11,13H,7-10H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 407.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).