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

C16H18F3N5OS — CID 126889602

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1
InChIInChI=1S/C16H18F3N5OS/c1-9-14(26-10(2)22-9)15(25)24-5-3-11(4-6-24)23-13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,20,21,23)
InChIKeyOOESTIXHODYJMN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.29
Rot. Bonds3

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126889602) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126889602
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1
InChIInChI=1S/C16H18F3N5OS/c1-9-14(26-10(2)22-9)15(25)24-5-3-11(4-6-24)23-13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,20,21,23)
InChIKeyOOESTIXHODYJMN-UHFFFAOYSA-N
XLogP3.29
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone 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 (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 126889602) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is OOESTIXHODYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-9-14(26-10(2)22-9)15(25)24-5-3-11(4-6-24)23-13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,20,21,23).
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 385.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).