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

C12H14F3NOS — CID 106829764

IUPAC(1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC1(C(=O)c2cnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C12H14F3NOS/c1-11(5-3-2-4-6-11)9(17)8-7-16-10(18-8)12(13,14)15/h7H,2-6H2,1H3
InChIKeyVCAZLDINJXDEMQ-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.32
Rot. Bonds2

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

(1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106829764) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106829764
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name(1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC1(C(=O)c2cnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C12H14F3NOS/c1-11(5-3-2-4-6-11)9(17)8-7-16-10(18-8)12(13,14)15/h7H,2-6H2,1H3
InChIKeyVCAZLDINJXDEMQ-UHFFFAOYSA-N
XLogP4.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylcyclohexyl)-[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 (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106829764) is (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CC1(C(=O)c2cnc(C(F)(F)F)s2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is VCAZLDINJXDEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-11(5-3-2-4-6-11)9(17)8-7-16-10(18-8)12(13,14)15/h7H,2-6H2,1H3.
What are the key properties of (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 277.31 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106829764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).