5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C24H31NO4SSi — CID 14459973

IUPAC5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OC(COc1ccccc1)c1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C24H31NO4SSi/c1-24(2,3)31(4,5)29-20(16-28-19-9-7-6-8-10-19)18-13-11-17(12-14-18)15-21-22(26)25-23(27)30-21/h6-14,20-21H,15-16H2,1-5H3,(H,25,26,27)
InChIKeyZWMMQHVWWZEWID-UHFFFAOYSA-N
MW457.67 g/mol
LogP5.72
Rot. Bonds8

About 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 14459973) has the molecular formula C24H31NO4SSi and a molecular weight of 457.67 g/mol. Its IUPAC name is 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID14459973
Molecular FormulaC24H31NO4SSi
Molecular Weight457.67 g/mol
Exact Mass457.17
IUPAC Name5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OC(COc1ccccc1)c1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C24H31NO4SSi/c1-24(2,3)31(4,5)29-20(16-28-19-9-7-6-8-10-19)18-13-11-17(12-14-18)15-21-22(26)25-23(27)30-21/h6-14,20-21H,15-16H2,1-5H3,(H,25,26,27)
InChIKeyZWMMQHVWWZEWID-UHFFFAOYSA-N
XLogP5.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.67
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 14459973) is 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CC(C)(C)[Si](C)(C)OC(COc1ccccc1)c1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZWMMQHVWWZEWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4SSi/c1-24(2,3)31(4,5)29-20(16-28-19-9-7-6-8-10-19)18-13-11-17(12-14-18)15-21-22(26)25-23(27)30-21/h6-14,20-21H,15-16H2,1-5H3,(H,25,26,27).
What are the key properties of 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 457.67 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14459973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).