2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone

C14H18F3NOS — CID 105120817

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESCc1nc(CC(=O)C2CCCC(C(F)(F)F)C2)sc1C
InChIInChI=1S/C14H18F3NOS/c1-8-9(2)20-13(18-8)7-12(19)10-4-3-5-11(6-10)14(15,16)17/h10-11H,3-7H2,1-2H3
InChIKeyZYZBBAYXRUXXEV-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.24
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 105120817) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID105120817
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESCc1nc(CC(=O)C2CCCC(C(F)(F)F)C2)sc1C
InChIInChI=1S/C14H18F3NOS/c1-8-9(2)20-13(18-8)7-12(19)10-4-3-5-11(6-10)14(15,16)17/h10-11H,3-7H2,1-2H3
InChIKeyZYZBBAYXRUXXEV-UHFFFAOYSA-N
XLogP4.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]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-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone (CID 105120817) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone is Cc1nc(CC(=O)C2CCCC(C(F)(F)F)C2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is ZYZBBAYXRUXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-8-9(2)20-13(18-8)7-12(19)10-4-3-5-11(6-10)14(15,16)17/h10-11H,3-7H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 305.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 105120817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).