ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C15H19F3N2O3S — CID 84559053

IUPACethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CC2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O3S/c1-2-23-13(22)11-12(15(16,17)18)20-14(24-11)19-10(21)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,19,20,21)
InChIKeyIFFPJRLFTOYSHR-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.25
Rot. Bonds5

About ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 84559053) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID84559053
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC Nameethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CC2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O3S/c1-2-23-13(22)11-12(15(16,17)18)20-14(24-11)19-10(21)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,19,20,21)
InChIKeyIFFPJRLFTOYSHR-UHFFFAOYSA-N
XLogP4.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate 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 ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 84559053) is ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CC2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is IFFPJRLFTOYSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c1-2-23-13(22)11-12(15(16,17)18)20-14(24-11)19-10(21)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,19,20,21).
What are the key properties of ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 364.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 84559053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).