ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate

C22H20N2O5S — CID 2466640

IUPACethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H20N2O5S/c1-2-28-22(27)16-8-10-17(11-9-16)23-19(25)13-29-20(26)12-18-14-30-21(24-18)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,23,25)
InChIKeyCUHBACLYTQFRMM-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.71
Rot. Bonds8

About ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate

ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 2466640) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate
PubChem CID2466640
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Nameethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H20N2O5S/c1-2-28-22(27)16-8-10-17(11-9-16)23-19(25)13-29-20(26)12-18-14-30-21(24-18)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,23,25)
InChIKeyCUHBACLYTQFRMM-UHFFFAOYSA-N
XLogP3.71
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate 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 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate (CID 2466640) is ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COC(=O)Cc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is CUHBACLYTQFRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-2-28-22(27)16-8-10-17(11-9-16)23-19(25)13-29-20(26)12-18-14-30-21(24-18)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,23,25).
What are the key properties of ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate?
ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 424.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 2466640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).