5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C19H21N3O3S — CID 59411513

IUPAC5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
InChIInChI=1S/C19H21N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)21-19(24)26-16/h3-10,16H,2,11-13H2,1H3,(H,21,23,24)
InChIKeyZLMFZZNLVHHKFB-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.88
Rot. Bonds8

About 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 59411513) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID59411513
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
InChIInChI=1S/C19H21N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)21-19(24)26-16/h3-10,16H,2,11-13H2,1H3,(H,21,23,24)
InChIKeyZLMFZZNLVHHKFB-UHFFFAOYSA-N
XLogP2.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione 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 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 59411513) is 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.
What is the InChIKey of 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZLMFZZNLVHHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)21-19(24)26-16/h3-10,16H,2,11-13H2,1H3,(H,21,23,24).
What are the key properties of 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 371.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59411513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).