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

C17H19N3O3S2 — CID 59411556

IUPAC5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)s1
InChIInChI=1S/C17H19N3O3S2/c1-11-10-18-16(24-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14/h3-6,10,14H,7-9H2,1-2H3,(H,19,21,22)
InChIKeyIQYGTJXCEDMWKX-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.86
Rot. Bonds7

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

5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 59411556) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID59411556
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)s1
InChIInChI=1S/C17H19N3O3S2/c1-11-10-18-16(24-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14/h3-6,10,14H,7-9H2,1-2H3,(H,19,21,22)
InChIKeyIQYGTJXCEDMWKX-UHFFFAOYSA-N
XLogP2.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-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-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 59411556) is 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1cnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)s1.
What is the InChIKey of 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is IQYGTJXCEDMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-11-10-18-16(24-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14/h3-6,10,14H,7-9H2,1-2H3,(H,19,21,22).
What are the key properties of 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 377.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59411556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).