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

C22H21N3O3S2 — CID 59411588

IUPAC5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)s1
InChIInChI=1S/C22H21N3O3S2/c1-25(21-23-14-19(29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18-20(26)24-22(27)30-18/h2-10,14,18H,11-13H2,1H3,(H,24,26,27)
InChIKeyFVYVSLDJKLDJMU-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.22
Rot. Bonds8

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

5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 59411588) has the molecular formula C22H21N3O3S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID59411588
Molecular FormulaC22H21N3O3S2
Molecular Weight439.56 g/mol
Exact Mass439.10
IUPAC Name5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)s1
InChIInChI=1S/C22H21N3O3S2/c1-25(21-23-14-19(29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18-20(26)24-22(27)30-18/h2-10,14,18H,11-13H2,1H3,(H,24,26,27)
InChIKeyFVYVSLDJKLDJMU-UHFFFAOYSA-N
XLogP4.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 59411588) is 5-[[4-[2-[methyl-(5-phenyl-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-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)s1.
What is the InChIKey of 5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FVYVSLDJKLDJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S2/c1-25(21-23-14-19(29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18-20(26)24-22(27)30-18/h2-10,14,18H,11-13H2,1H3,(H,24,26,27).
What are the key properties of 5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 439.56 g/mol, XLogP of 4.22, 8 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-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59411588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).