2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C15H16F3N3OS — CID 166605949

IUPAC2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCC(COc3ccccn3)CC2)n1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)12-10-23-14(20-12)21-7-4-11(5-8-21)9-22-13-3-1-2-6-19-13/h1-3,6,10-11H,4-5,7-9H2
InChIKeyHBDXYHFTTLIQOX-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166605949) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166605949
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCC(COc3ccccn3)CC2)n1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)12-10-23-14(20-12)21-7-4-11(5-8-21)9-22-13-3-1-2-6-19-13/h1-3,6,10-11H,4-5,7-9H2
InChIKeyHBDXYHFTTLIQOX-UHFFFAOYSA-N
XLogP3.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 166605949) is 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(N2CCC(COc3ccccn3)CC2)n1.
What is the InChIKey of 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HBDXYHFTTLIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)12-10-23-14(20-12)21-7-4-11(5-8-21)9-22-13-3-1-2-6-19-13/h1-3,6,10-11H,4-5,7-9H2.
What are the key properties of 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 343.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166605949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).