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

C12H9F3N2OS — CID 107502611

IUPAC(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C(=O)c2cnc(C(F)(F)F)s2)cc(C)n1
InChIInChI=1S/C12H9F3N2OS/c1-6-3-8(4-7(2)17-6)10(18)9-5-16-11(19-9)12(13,14)15/h3-5H,1-2H3
InChIKeyIEFNGHRBPYGSSQ-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.40
Rot. Bonds2

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

(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 107502611) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID107502611
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C(=O)c2cnc(C(F)(F)F)s2)cc(C)n1
InChIInChI=1S/C12H9F3N2OS/c1-6-3-8(4-7(2)17-6)10(18)9-5-16-11(19-9)12(13,14)15/h3-5H,1-2H3
InChIKeyIEFNGHRBPYGSSQ-UHFFFAOYSA-N
XLogP3.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-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 (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 107502611) is (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is Cc1cc(C(=O)c2cnc(C(F)(F)F)s2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is IEFNGHRBPYGSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-6-3-8(4-7(2)17-6)10(18)9-5-16-11(19-9)12(13,14)15/h3-5H,1-2H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 286.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 107502611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).