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

C25H21N3O3S — CID 23742463

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H21N3O3S/c29-22(28-25-27-21(15-32-25)16-8-2-1-3-9-16)14-31-24(30)23-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)23/h1-4,6,8-10,12,15H,5,7,11,13-14H2,(H,27,28,29)
InChIKeyJHRGGTGYZGZZQZ-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.03
Rot. Bonds5

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

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 23742463) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID23742463
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H21N3O3S/c29-22(28-25-27-21(15-32-25)16-8-2-1-3-9-16)14-31-24(30)23-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)23/h1-4,6,8-10,12,15H,5,7,11,13-14H2,(H,27,28,29)
InChIKeyJHRGGTGYZGZZQZ-UHFFFAOYSA-N
XLogP5.03
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23941763
[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 23885710
[2-oxo-2-(2-phenylanilino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16533544
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930
[2-(2-methylanilino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23829628
[2-(4-chloroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335128
[2-(4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335607
[2-(2-chloroanilino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23771581
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23744443
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23884896
[2-(4-chloroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2463707
[2-(2,4-dibromoanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23913819

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 23742463) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is JHRGGTGYZGZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c29-22(28-25-27-21(15-32-25)16-8-2-1-3-9-16)14-31-24(30)23-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)23/h1-4,6,8-10,12,15H,5,7,11,13-14H2,(H,27,28,29).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 443.53 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 23742463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).