2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone

C16H17F3N4O2S — CID 122267788

IUPAC2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone
SMILESCc1ncc(CC(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)s1
InChIInChI=1S/C16H17F3N4O2S/c1-10-21-8-12(26-10)7-14(24)23-6-2-3-11(9-23)25-15-20-5-4-13(22-15)16(17,18)19/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeySXHQECYTDKKWGP-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone (PubChem CID 122267788) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone
PubChem CID122267788
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone
SMILESCc1ncc(CC(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)s1
InChIInChI=1S/C16H17F3N4O2S/c1-10-21-8-12(26-10)7-14(24)23-6-2-3-11(9-23)25-15-20-5-4-13(22-15)16(17,18)19/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeySXHQECYTDKKWGP-UHFFFAOYSA-N
XLogP2.87
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone 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-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone (CID 122267788) is 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone is Cc1ncc(CC(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone?
The InChIKey is SXHQECYTDKKWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c1-10-21-8-12(26-10)7-14(24)23-6-2-3-11(9-23)25-15-20-5-4-13(22-15)16(17,18)19/h4-5,8,11H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone has a molecular weight of 386.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 122267788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).