ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate

C18H18N2O4S2 — CID 166597024

IUPACethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CSCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O4S2/c1-2-24-18(23)12-5-7-13(8-6-12)19-16(21)14-10-25-11-20(14)17(22)15-4-3-9-26-15/h3-9,14H,2,10-11H2,1H3,(H,19,21)
InChIKeyBZEACDYPHNSMDX-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.08
Rot. Bonds5

About ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate

ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate (PubChem CID 166597024) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate
PubChem CID166597024
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Nameethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CSCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O4S2/c1-2-24-18(23)12-5-7-13(8-6-12)19-16(21)14-10-25-11-20(14)17(22)15-4-3-9-26-15/h3-9,14H,2,10-11H2,1H3,(H,19,21)
InChIKeyBZEACDYPHNSMDX-UHFFFAOYSA-N
XLogP3.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]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

Related Compounds

diethyl 5-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43009712
ethyl 4-[(N-methyl-C-thiophen-2-ylcarbonimidoyl)amino]benzoate
CID 8003499
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 2892447
3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55515650
diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563548
2-ethyl-N-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749142
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
(2S)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55939965
ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
CID 90711977
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate (CID 166597024) is ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CSCN2C(=O)c2cccs2)cc1.
What is the InChIKey of ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate?
The InChIKey is BZEACDYPHNSMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-2-24-18(23)12-5-7-13(8-6-12)19-16(21)14-10-25-11-20(14)17(22)15-4-3-9-26-15/h3-9,14H,2,10-11H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate?
ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate has a molecular weight of 390.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 166597024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).