ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate

C14H18N2O4S2 — CID 3856407

IUPACethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(C)s1
InChIInChI=1S/C14H18N2O4S2/c1-3-20-13(19)6-15-11(17)7-16-12(18)8-21-14(16)10-5-4-9(2)22-10/h4-5,14H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyOSWQPZQKJJLWEW-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.31
Rot. Bonds6

About ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate

ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate (PubChem CID 3856407) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
PubChem CID3856407
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Nameethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(C)s1
InChIInChI=1S/C14H18N2O4S2/c1-3-20-13(19)6-15-11(17)7-16-12(18)8-21-14(16)10-5-4-9(2)22-10/h4-5,14H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyOSWQPZQKJJLWEW-UHFFFAOYSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]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-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate (CID 3856407) is ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(C)s1.
What is the InChIKey of ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The InChIKey is OSWQPZQKJJLWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S2/c1-3-20-13(19)6-15-11(17)7-16-12(18)8-21-14(16)10-5-4-9(2)22-10/h4-5,14H,3,6-8H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate has a molecular weight of 342.44 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate is sourced from PubChem (CID 3856407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).