(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C13H16F3NOS — CID 106782530

IUPAC(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCC1CCCC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H16F3NOS/c1-2-8-4-3-5-9(6-8)11(18)10-7-17-12(19-10)13(14,15)16/h7-9H,2-6H2,1H3
InChIKeyHWNMIIADRWOGDJ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.56
Rot. Bonds3

About (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782530) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782530
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCC1CCCC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H16F3NOS/c1-2-8-4-3-5-9(6-8)11(18)10-7-17-12(19-10)13(14,15)16/h7-9H,2-6H2,1H3
InChIKeyHWNMIIADRWOGDJ-UHFFFAOYSA-N
XLogP4.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-ethylcyclohexyl)-[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 (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782530) is (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CCC1CCCC(C(=O)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is HWNMIIADRWOGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-2-8-4-3-5-9(6-8)11(18)10-7-17-12(19-10)13(14,15)16/h7-9H,2-6H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 291.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).