2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C18H19N3O4S — CID 119244731

IUPAC2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccc(N2CC(C(=O)NCc3nc(C(=O)O)cs3)CC2=O)cc1
InChIInChI=1S/C18H19N3O4S/c1-2-11-3-5-13(6-4-11)21-9-12(7-16(21)22)17(23)19-8-15-20-14(10-26-15)18(24)25/h3-6,10,12H,2,7-9H2,1H3,(H,19,23)(H,24,25)
InChIKeyFETPWBYSSQCJJS-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.07
Rot. Bonds6

About 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119244731) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119244731
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccc(N2CC(C(=O)NCc3nc(C(=O)O)cs3)CC2=O)cc1
InChIInChI=1S/C18H19N3O4S/c1-2-11-3-5-13(6-4-11)21-9-12(7-16(21)22)17(23)19-8-15-20-14(10-26-15)18(24)25/h3-6,10,12H,2,7-9H2,1H3,(H,19,23)(H,24,25)
InChIKeyFETPWBYSSQCJJS-UHFFFAOYSA-N
XLogP2.07
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244730
2-[[[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245089
(3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124570513
1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55548552
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 55663749
N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18153844
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 56586252
1-(4-ethylphenyl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802546
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438685

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119244731) is 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is CCc1ccc(N2CC(C(=O)NCc3nc(C(=O)O)cs3)CC2=O)cc1.
What is the InChIKey of 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FETPWBYSSQCJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-2-11-3-5-13(6-4-11)21-9-12(7-16(21)22)17(23)19-8-15-20-14(10-26-15)18(24)25/h3-6,10,12H,2,7-9H2,1H3,(H,19,23)(H,24,25).
What are the key properties of 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119244731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).