[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate

C24H23N3O4S2 — CID 42900226

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCSc1cccc(N2CC(C(=O)OCc3csc(N(C(C)=O)c4ccccc4)n3)CC2=O)c1
InChIInChI=1S/C24H23N3O4S2/c1-16(28)27(19-7-4-3-5-8-19)24-25-18(15-33-24)14-31-23(30)17-11-22(29)26(13-17)20-9-6-10-21(12-20)32-2/h3-10,12,15,17H,11,13-14H2,1-2H3
InChIKeyVWMYFUMVLXSHRU-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.65
Rot. Bonds7

About [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 42900226) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID42900226
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCSc1cccc(N2CC(C(=O)OCc3csc(N(C(C)=O)c4ccccc4)n3)CC2=O)c1
InChIInChI=1S/C24H23N3O4S2/c1-16(28)27(19-7-4-3-5-8-19)24-25-18(15-33-24)14-31-23(30)17-11-22(29)26(13-17)20-9-6-10-21(12-20)32-2/h3-10,12,15,17H,11,13-14H2,1-2H3
InChIKeyVWMYFUMVLXSHRU-UHFFFAOYSA-N
XLogP4.65
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

phenacyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892342
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 34319195
(3-fluoro-4-methoxyphenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7891959
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl adamantane-2-carboxylate
CID 8519864
(2-phenyl-1,3-thiazol-4-yl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 35972292
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 55611555
[2-(2-fluoroanilino)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892308
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
[2-(2,6-dimethylanilino)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892189
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892211
[2-(4-fluoroanilino)-2-oxoethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892247
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892220

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 42900226) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate is CSc1cccc(N2CC(C(=O)OCc3csc(N(C(C)=O)c4ccccc4)n3)CC2=O)c1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is VWMYFUMVLXSHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-16(28)27(19-7-4-3-5-8-19)24-25-18(15-33-24)14-31-23(30)17-11-22(29)26(13-17)20-9-6-10-21(12-20)32-2/h3-10,12,15,17H,11,13-14H2,1-2H3.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 481.60 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 42900226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).