ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane

C125H150F6N8O12S2Si6 — CID 160930043

IUPACethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane
SMILESC.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1nccs1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1nccs1
InChIInChI=1S/2C22H24F3NO2Si.2C22H27NO2Si.2C18H22N2O2SSi.CH4/c1-5-28-21(27)20-13-16-12-18(29(2,3)4)9-10-19(16)26(20)14-15-7-6-8-17(11-15)22(23,24)25;1-5-28-21(27)20-12-16-9-10-18(29(2,3)4)13-19(16)26(20)14-15-7-6-8-17(11-15)22(23,24)25;1-6-25-22(24)21-14-18-13-19(26(3,4)5)10-11-20(18)23(21)15-17-9-7-8-16(2)12-17;1-6-25-22(24)21-13-18-10-11-19(26(3,4)5)14-20(18)23(21)15-17-9-7-8-16(2)12-17;1-5-22-18(21)16-11-13-10-14(24(2,3)4)6-7-15(13)20(16)12-17-19-8-9-23-17;1-5-22-18(21)16-10-13-6-7-14(24(2,3)4)11-15(13)20(16)12-17-19-8-9-23-17;/h2*6-13H,5,14H2,1-4H3;2*7-14H,6,15H2,1-5H3;2*6-11H,5,12H2,1-4H3;1H4
InChIKeySTDKLLVOXVCGTM-UHFFFAOYSA-N
MW2303.26 g/mol
LogP28.67
Rot. Bonds30

About ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane

ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane (PubChem CID 160930043) has the molecular formula C125H150F6N8O12S2Si6 and a molecular weight of 2303.26 g/mol. Its IUPAC name is ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane.

Molecular Properties

Compound Nameethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane
PubChem CID160930043
Molecular FormulaC125H150F6N8O12S2Si6
Molecular Weight2303.26 g/mol
Exact Mass2300.93
IUPAC Nameethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane
SMILESC.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1nccs1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1nccs1
InChIInChI=1S/2C22H24F3NO2Si.2C22H27NO2Si.2C18H22N2O2SSi.CH4/c1-5-28-21(27)20-13-16-12-18(29(2,3)4)9-10-19(16)26(20)14-15-7-6-8-17(11-15)22(23,24)25;1-5-28-21(27)20-12-16-9-10-18(29(2,3)4)13-19(16)26(20)14-15-7-6-8-17(11-15)22(23,24)25;1-6-25-22(24)21-14-18-13-19(26(3,4)5)10-11-20(18)23(21)15-17-9-7-8-16(2)12-17;1-6-25-22(24)21-13-18-10-11-19(26(3,4)5)14-20(18)23(21)15-17-9-7-8-16(2)12-17;1-5-22-18(21)16-11-13-10-14(24(2,3)4)6-7-15(13)20(16)12-17-19-8-9-23-17;1-5-22-18(21)16-10-13-6-7-14(24(2,3)4)11-15(13)20(16)12-17-19-8-9-23-17;/h2*6-13H,5,14H2,1-4H3;2*7-14H,6,15H2,1-5H3;2*6-11H,5,12H2,1-4H3;1H4
InChIKeySTDKLLVOXVCGTM-UHFFFAOYSA-N
XLogP28.67
TPSA213.16 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.26
LogP ≤ 528.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane with MolForge

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Related Compounds

Ethyl 5-trifluoromethyl-1-[(thiazol-2-yl)]methyl-1H-indole-2-carboxylate
CID 66888728
Ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate;ethyl 6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 159358671
Ethyl 5-methyl-1-[(3-methylphenyl)methyl]indole-2-carboxylate;ethyl 5-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 159534677
Ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate
CID 58100933
Ethyl 6-trimethylsilyl-1-[(thiazol-2-yl)methyl]-1H-indole-2-carboxylate
CID 58100934
CID 70970987
CID 70970987
Ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate;ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
CID 123724710
Lithium;1-(4-fluorophenyl)indole-5-carboxylic acid;[1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;methyl 1-(4-fluorophenyl)indole-5-carboxylate;hydroxide;hydrochloride
CID 157900371
1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate
CID 159426159
[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;4-fluoro-1-(4-fluorophenyl)indole-5-carboxylic acid;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;methyl 4-fluoro-1-(4-fluorophenyl)indole-5-carboxylate;methyl 4-fluoro-1H-indole-5-carboxylate;methyl 4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylate;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 160259180
Ethyl 5-[ethyl(dimethyl)silyl]-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
CID 163683992
methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 2-[(E)-C-(1H-indol-3-yl)-N-methoxycarbonimidoyl]-1,3-thiazole-4-carboxylate
CID 172962643

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane?
The IUPAC name of ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane (CID 160930043) is ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane.
What is the SMILES notation for ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane?
The canonical SMILES for ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane is C.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2cc([Si](C)(C)C)ccc2n1Cc1nccs1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1cccc(C(F)(F)F)c1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1cccc(C)c1.CCOC(=O)c1cc2ccc([Si](C)(C)C)cc2n1Cc1nccs1.
What is the InChIKey of ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane?
The InChIKey is STDKLLVOXVCGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H24F3NO2Si.2C22H27NO2Si.2C18H22N2O2SSi.CH4/c1-5-28-21(27)20-13-16-12-18(29(2,3)4)9-10-19(16)26(20)14-15-7-6-8-17(11-15)22(23,24)25;1-5-28-21(27)20-12-16-9-10-18(29(2,3)4)13-19(16)26(20)14-15-7-6-8-17(11-15)22(23,24)25;1-6-25-22(24)21-14-18-13-19(26(3,4)5)10-11-20(18)23(21)15-17-9-7-8-16(2)12-17;1-6-25-22(24)21-13-18-10-11-19(26(3,4)5)14-20(18)23(21)15-17-9-7-8-16(2)12-17;1-5-22-18(21)16-11-13-10-14(24(2,3)4)6-7-15(13)20(16)12-17-19-8-9-23-17;1-5-22-18(21)16-10-13-6-7-14(24(2,3)4)11-15(13)20(16)12-17-19-8-9-23-17;/h2*6-13H,5,14H2,1-4H3;2*7-14H,6,15H2,1-5H3;2*6-11H,5,12H2,1-4H3;1H4.
What are the key properties of ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane?
ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane has a molecular weight of 2303.26 g/mol, XLogP of 28.67, 30 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-methylphenyl)methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[(3-methylphenyl)methyl]-6-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-5-trimethylsilylindole-2-carboxylate;ethyl 1-(1,3-thiazol-2-ylmethyl)-6-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-5-trimethylsilylindole-2-carboxylate;ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]-6-trimethylsilylindole-2-carboxylate;methane is sourced from PubChem (CID 160930043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).