[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C29H27N3O5S — CID 23742518

IUPAC[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC(c2ccccc2)C3)n1
InChIInChI=1S/C29H27N3O5S/c1-2-36-26(34)15-20-17-38-29(30-20)32-25(33)16-37-28(35)27-21-10-6-7-11-23(21)31-24-13-12-19(14-22(24)27)18-8-4-3-5-9-18/h3-11,17,19H,2,12-16H2,1H3,(H,30,32,33)
InChIKeyABVXUTOTVRXBEY-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.86
Rot. Bonds8

About [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 23742518) has the molecular formula C29H27N3O5S and a molecular weight of 529.62 g/mol. Its IUPAC name is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID23742518
Molecular FormulaC29H27N3O5S
Molecular Weight529.62 g/mol
Exact Mass529.17
IUPAC Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC(c2ccccc2)C3)n1
InChIInChI=1S/C29H27N3O5S/c1-2-36-26(34)15-20-17-38-29(30-20)32-25(33)16-37-28(35)27-21-10-6-7-11-23(21)31-24-13-12-19(14-22(24)27)18-8-4-3-5-9-18/h3-11,17,19H,2,12-16H2,1H3,(H,30,32,33)
InChIKeyABVXUTOTVRXBEY-UHFFFAOYSA-N
XLogP4.86
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23858000
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139142
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 19057431
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507572
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696059
[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23791179
[2-(4-iodoanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23857693
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2652513
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 24631235

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 23742518) is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CCOC(=O)Cc1csc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC(c2ccccc2)C3)n1.
What is the InChIKey of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is ABVXUTOTVRXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5S/c1-2-36-26(34)15-20-17-38-29(30-20)32-25(33)16-37-28(35)27-21-10-6-7-11-23(21)31-24-13-12-19(14-22(24)27)18-8-4-3-5-9-18/h3-11,17,19H,2,12-16H2,1H3,(H,30,32,33).
What are the key properties of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 529.62 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 23742518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).