[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate

C22H20N2O4S — CID 7666371

IUPAC[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
SMILESCOc1cccc(-c2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)c1OC
InChIInChI=1S/C22H20N2O4S/c1-26-19-9-5-7-17(21(19)27-2)22-24-15(13-29-22)12-28-20(25)10-14-11-23-18-8-4-3-6-16(14)18/h3-9,11,13,23H,10,12H2,1-2H3
InChIKeyYYTKPSUTWWOOBK-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.59
Rot. Bonds7

About [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate (PubChem CID 7666371) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
PubChem CID7666371
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
SMILESCOc1cccc(-c2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)c1OC
InChIInChI=1S/C22H20N2O4S/c1-26-19-9-5-7-17(21(19)27-2)22-24-15(13-29-22)12-28-20(25)10-14-11-23-18-8-4-3-6-16(14)18/h3-9,11,13,23H,10,12H2,1-2H3
InChIKeyYYTKPSUTWWOOBK-UHFFFAOYSA-N
XLogP4.59
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 8892468
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 31274979
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 31273909
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813128
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 31433005
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885967
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1H-indol-3-yl)propanoate
CID 4855143
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 8611711
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-carbamoylbenzoate
CID 30799981
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 27202394

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate (CID 7666371) is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate is COc1cccc(-c2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)c1OC.
What is the InChIKey of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The InChIKey is YYTKPSUTWWOOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-26-19-9-5-7-17(21(19)27-2)22-24-15(13-29-22)12-28-20(25)10-14-11-23-18-8-4-3-6-16(14)18/h3-9,11,13,23H,10,12H2,1-2H3.
What are the key properties of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate has a molecular weight of 408.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7666371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).