[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate

C24H22ClN3O5S — CID 55480494

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C24H22ClN3O5S/c1-15-23(34-21(26-15)14-32-19-9-7-16(25)8-10-19)24(31)33-13-20(29)27-17-4-2-5-18(12-17)28-11-3-6-22(28)30/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,27,29)
InChIKeyLIOHZOVGBKAACN-UHFFFAOYSA-N
MW499.98 g/mol
LogP4.61
Rot. Bonds8

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55480494) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID55480494
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C24H22ClN3O5S/c1-15-23(34-21(26-15)14-32-19-9-7-16(25)8-10-19)24(31)33-13-20(29)27-17-4-2-5-18(12-17)28-11-3-6-22(28)30/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,27,29)
InChIKeyLIOHZOVGBKAACN-UHFFFAOYSA-N
XLogP4.61
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chlorophenoxy)methyl]-4-methyl-N-(3-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 55811830
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604753
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 36572037
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892330
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998740
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate
CID 36609935
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46404795
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 55480494) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is LIOHZOVGBKAACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c1-15-23(34-21(26-15)14-32-19-9-7-16(25)8-10-19)24(31)33-13-20(29)27-17-4-2-5-18(12-17)28-11-3-6-22(28)30/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,27,29).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 499.98 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55480494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).