2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

C16H18F3N5OS — CID 126889637

IUPAC2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
SMILESCc1ncc(CC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1
InChIInChI=1S/C16H18F3N5OS/c1-10-20-8-12(26-10)6-15(25)24-4-2-11(3-5-24)23-14-7-13(16(17,18)19)21-9-22-14/h7-9,11H,2-6H2,1H3,(H,21,22,23)
InChIKeyQMKBJWZHLFOSJT-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone (PubChem CID 126889637) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
PubChem CID126889637
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
SMILESCc1ncc(CC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1
InChIInChI=1S/C16H18F3N5OS/c1-10-20-8-12(26-10)6-15(25)24-4-2-11(3-5-24)23-14-7-13(16(17,18)19)21-9-22-14/h7-9,11H,2-6H2,1H3,(H,21,22,23)
InChIKeyQMKBJWZHLFOSJT-UHFFFAOYSA-N
XLogP2.91
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-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-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone (CID 126889637) is 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone is Cc1ncc(CC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is QMKBJWZHLFOSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-10-20-8-12(26-10)6-15(25)24-4-2-11(3-5-24)23-14-7-13(16(17,18)19)21-9-22-14/h7-9,11H,2-6H2,1H3,(H,21,22,23).
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-5-yl)-1-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 385.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 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-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 126889637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).