[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate

C26H19N3O4S — CID 23764293

IUPAC[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C26H19N3O4S/c27-14-21-8-4-5-9-23(21)32-16-25(31)33-15-24(30)29-26-28-22(17-34-26)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,17H,15-16H2,(H,28,29,30)
InChIKeyXVZPMTKQAWKXFS-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.91
Rot. Bonds8

About [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate

[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 23764293) has the molecular formula C26H19N3O4S and a molecular weight of 469.52 g/mol. Its IUPAC name is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate
PubChem CID23764293
Molecular FormulaC26H19N3O4S
Molecular Weight469.52 g/mol
Exact Mass469.11
IUPAC Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C26H19N3O4S/c27-14-21-8-4-5-9-23(21)32-16-25(31)33-15-24(30)29-26-28-22(17-34-26)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,17H,15-16H2,(H,28,29,30)
InChIKeyXVZPMTKQAWKXFS-UHFFFAOYSA-N
XLogP4.91
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2-hydroxyphenoxy)acetate
CID 23761371
2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-cyanophenoxy)acetamide
CID 35721988
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-thiophen-2-ylacetate
CID 23791449
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
CID 23800423
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 16543892
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317702
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
[(2R)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 41259189

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate (CID 23764293) is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is XVZPMTKQAWKXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4S/c27-14-21-8-4-5-9-23(21)32-16-25(31)33-15-24(30)29-26-28-22(17-34-26)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,17H,15-16H2,(H,28,29,30).
What are the key properties of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate?
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 469.52 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 23764293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).