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

C21H18F3N3O2S — CID 71798690

IUPAC(2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H18F3N3O2S/c22-21(23,24)15-6-7-18(25-12-15)29-16-8-10-27(11-9-16)20(28)17-13-30-19(26-17)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2
InChIKeyXPTJVLHEWUZGRZ-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.91
Rot. Bonds4

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

(2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798690) has the molecular formula C21H18F3N3O2S and a molecular weight of 433.46 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798690
Molecular FormulaC21H18F3N3O2S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H18F3N3O2S/c22-21(23,24)15-6-7-18(25-12-15)29-16-8-10-27(11-9-16)20(28)17-13-30-19(26-17)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2
InChIKeyXPTJVLHEWUZGRZ-UHFFFAOYSA-N
XLogP4.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798690) is (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is O=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is XPTJVLHEWUZGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2S/c22-21(23,24)15-6-7-18(25-12-15)29-16-8-10-27(11-9-16)20(28)17-13-30-19(26-17)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
(2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 433.46 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).