2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole

C14H14F3N3OS — CID 166602428

IUPAC2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCCC(Oc3cccnc3)C2)n1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)12-9-22-13(19-12)20-6-2-4-11(8-20)21-10-3-1-5-18-7-10/h1,3,5,7,9,11H,2,4,6,8H2
InChIKeyVHNYASPCDSEVMA-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.60
Rot. Bonds3

About 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166602428) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166602428
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCCC(Oc3cccnc3)C2)n1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)12-9-22-13(19-12)20-6-2-4-11(8-20)21-10-3-1-5-18-7-10/h1,3,5,7,9,11H,2,4,6,8H2
InChIKeyVHNYASPCDSEVMA-UHFFFAOYSA-N
XLogP3.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 166602428) is 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(N2CCCC(Oc3cccnc3)C2)n1.
What is the InChIKey of 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VHNYASPCDSEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)12-9-22-13(19-12)20-6-2-4-11(8-20)21-10-3-1-5-18-7-10/h1,3,5,7,9,11H,2,4,6,8H2.
What are the key properties of 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 329.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-3-yloxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166602428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).