ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate

C19H24N2O2SSi — CID 163683992

IUPACethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc([Si](C)(C)CC)ccc2n1Cc1nccs1
InChIInChI=1S/C19H24N2O2SSi/c1-5-23-19(22)17-12-14-11-15(25(3,4)6-2)7-8-16(14)21(17)13-18-20-9-10-24-18/h7-12H,5-6,13H2,1-4H3
InChIKeyJNFKLPXVKSFLPU-UHFFFAOYSA-N
MW372.57 g/mol
LogP4.26
Rot. Bonds6

About ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate

ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate (PubChem CID 163683992) has the molecular formula C19H24N2O2SSi and a molecular weight of 372.57 g/mol. Its IUPAC name is ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
PubChem CID163683992
Molecular FormulaC19H24N2O2SSi
Molecular Weight372.57 g/mol
Exact Mass372.13
IUPAC Nameethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc([Si](C)(C)CC)ccc2n1Cc1nccs1
InChIInChI=1S/C19H24N2O2SSi/c1-5-23-19(22)17-12-14-11-15(25(3,4)6-2)7-8-16(14)21(17)13-18-20-9-10-24-18/h7-12H,5-6,13H2,1-4H3
InChIKeyJNFKLPXVKSFLPU-UHFFFAOYSA-N
XLogP4.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,3-Dihydro-indol-1-yl)-2-oxo-ethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 651808
(2-Phenyl-1,3-thiazol-4-yl)methyl 1-methylpyrrole-2-carboxylate
CID 2091642
Ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 648405
4-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 650283
Ethyl 5-fluoro-1-[(1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxylate
CID 15978861
Ethyl 1-(1,3-benzothiazol-2-ylmethyl)-5-fluoroindole-2-carboxylate
CID 15978986
Ethyl 5-fluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate
CID 15979102
Tert-butyl 3-(5-bromo-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 22676738
Tert-butyl 3-(5-acetyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 22676792
Ethyl 5-trifluoromethyl-1-[(thiazol-2-yl)]methyl-1H-indole-2-carboxylate
CID 66888728
Ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate
CID 68716972
1-(1,3-Thiazol-2-ylmethyl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 68737145

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The IUPAC name of ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate (CID 163683992) is ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The canonical SMILES for ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate is CCOC(=O)c1cc2cc([Si](C)(C)CC)ccc2n1Cc1nccs1.
What is the InChIKey of ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The InChIKey is JNFKLPXVKSFLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2SSi/c1-5-23-19(22)17-12-14-11-15(25(3,4)6-2)7-8-16(14)21(17)13-18-20-9-10-24-18/h7-12H,5-6,13H2,1-4H3.
What are the key properties of ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate has a molecular weight of 372.57 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate is sourced from PubChem (CID 163683992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).