N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

C15H23F3N2S — CID 105159009

IUPACN-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(Cc1csc(C)n1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H23F3N2S/c1-3-19-14(8-11-9-21-10(2)20-11)12-6-4-5-7-13(12)15(16,17)18/h9,12-14,19H,3-8H2,1-2H3
InChIKeyHRRMIPVCJZDIAB-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.34
Rot. Bonds5

About N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105159009) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105159009
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC NameN-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(Cc1csc(C)n1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H23F3N2S/c1-3-19-14(8-11-9-21-10(2)20-11)12-6-4-5-7-13(12)15(16,17)18/h9,12-14,19H,3-8H2,1-2H3
InChIKeyHRRMIPVCJZDIAB-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine 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 N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 105159009) is N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is CCNC(Cc1csc(C)n1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is HRRMIPVCJZDIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-3-19-14(8-11-9-21-10(2)20-11)12-6-4-5-7-13(12)15(16,17)18/h9,12-14,19H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 320.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105159009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).