ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate

C16H18N2O3S — CID 23823027

IUPACethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)CSC1c1cn(C)c2ccccc12
InChIInChI=1S/C16H18N2O3S/c1-3-21-15(20)9-18-14(19)10-22-16(18)12-8-17(2)13-7-5-4-6-11(12)13/h4-8,16H,3,9-10H2,1-2H3
InChIKeyQPAQTHGIFOGTQL-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.32
Rot. Bonds4

About ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate

ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate (PubChem CID 23823027) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
PubChem CID23823027
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nameethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)CSC1c1cn(C)c2ccccc12
InChIInChI=1S/C16H18N2O3S/c1-3-21-15(20)9-18-14(19)10-22-16(18)12-8-17(2)13-7-5-4-6-11(12)13/h4-8,16H,3,9-10H2,1-2H3
InChIKeyQPAQTHGIFOGTQL-UHFFFAOYSA-N
XLogP2.32
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate 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-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate (CID 23823027) is ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)CSC1c1cn(C)c2ccccc12.
What is the InChIKey of ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The InChIKey is QPAQTHGIFOGTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-21-15(20)9-18-14(19)10-22-16(18)12-8-17(2)13-7-5-4-6-11(12)13/h4-8,16H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate has a molecular weight of 318.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 23823027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).