ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate

C20H25N3O4S — CID 10716156

IUPACethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(CCN3C(=O)CSC3=O)cc2c1CCN(C)C
InChIInChI=1S/C20H25N3O4S/c1-4-27-19(25)18-14(8-9-22(2)3)15-11-13(5-6-16(15)21-18)7-10-23-17(24)12-28-20(23)26/h5-6,11,21H,4,7-10,12H2,1-3H3
InChIKeyGDEDVAPRWVWAKQ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.69
Rot. Bonds8

About ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate

ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate (PubChem CID 10716156) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate
PubChem CID10716156
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Nameethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(CCN3C(=O)CSC3=O)cc2c1CCN(C)C
InChIInChI=1S/C20H25N3O4S/c1-4-27-19(25)18-14(8-9-22(2)3)15-11-13(5-6-16(15)21-18)7-10-23-17(24)12-28-20(23)26/h5-6,11,21H,4,7-10,12H2,1-3H3
InChIKeyGDEDVAPRWVWAKQ-UHFFFAOYSA-N
XLogP2.69
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-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 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate (CID 10716156) is ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CSC3=O)cc2c1CCN(C)C.
What is the InChIKey of ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate?
The InChIKey is GDEDVAPRWVWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-27-19(25)18-14(8-9-22(2)3)15-11-13(5-6-16(15)21-18)7-10-23-17(24)12-28-20(23)26/h5-6,11,21H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate?
ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate has a molecular weight of 403.50 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 10716156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).