ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate

C18H22N2O2SSi — CID 58100933

IUPACethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1nccs1
InChIInChI=1S/C18H22N2O2SSi/c1-5-22-18(21)16-11-13-10-14(24(2,3)4)6-7-15(13)20(16)12-17-19-8-9-23-17/h6-11H,5,12H2,1-4H3
InChIKeyZGEPEHIXNJNTJP-UHFFFAOYSA-N
MW358.54 g/mol
LogP3.87
Rot. Bonds5

About ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate

ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate (PubChem CID 58100933) has the molecular formula C18H22N2O2SSi and a molecular weight of 358.54 g/mol. Its IUPAC name is ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate
PubChem CID58100933
Molecular FormulaC18H22N2O2SSi
Molecular Weight358.54 g/mol
Exact Mass358.12
IUPAC Nameethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1nccs1
InChIInChI=1S/C18H22N2O2SSi/c1-5-22-18(21)16-11-13-10-14(24(2,3)4)6-7-15(13)20(16)12-17-19-8-9-23-17/h6-11H,5,12H2,1-4H3
InChIKeyZGEPEHIXNJNTJP-UHFFFAOYSA-N
XLogP3.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.54
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate?
The IUPAC name of ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate (CID 58100933) is ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate?
The canonical SMILES for ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate is CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1nccs1.
What is the InChIKey of ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate?
The InChIKey is ZGEPEHIXNJNTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2SSi/c1-5-22-18(21)16-11-13-10-14(24(2,3)4)6-7-15(13)20(16)12-17-19-8-9-23-17/h6-11H,5,12H2,1-4H3.
What are the key properties of ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate?
ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate has a molecular weight of 358.54 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate is sourced from PubChem (CID 58100933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).