5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde

C13H23NO2SSi — CID 71573831

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1nc(C=O)sc1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23NO2SSi/c1-10-11(17-12(9-15)14-10)7-8-16-18(5,6)13(2,3)4/h9H,7-8H2,1-6H3
InChIKeyGXOMDYQTGGGFAB-UHFFFAOYSA-N
MW285.49 g/mol
LogP3.83
Rot. Bonds5

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde (PubChem CID 71573831) has the molecular formula C13H23NO2SSi and a molecular weight of 285.49 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde
PubChem CID71573831
Molecular FormulaC13H23NO2SSi
Molecular Weight285.49 g/mol
Exact Mass285.12
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1nc(C=O)sc1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23NO2SSi/c1-10-11(17-12(9-15)14-10)7-8-16-18(5,6)13(2,3)4/h9H,7-8H2,1-6H3
InChIKeyGXOMDYQTGGGFAB-UHFFFAOYSA-N
XLogP3.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde (CID 71573831) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde is Cc1nc(C=O)sc1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is GXOMDYQTGGGFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2SSi/c1-10-11(17-12(9-15)14-10)7-8-16-18(5,6)13(2,3)4/h9H,7-8H2,1-6H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde?
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 285.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 71573831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).