5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide

C21H20N4O2S — CID 110624904

IUPAC5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccccn2)n1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H20N4O2S/c26-19-12-15(13-25(19)17-6-2-1-3-7-17)20(27)23-11-9-16-14-28-21(24-16)18-8-4-5-10-22-18/h1-8,10,14-15H,9,11-13H2,(H,23,27)
InChIKeyWODSTTWGGFLFIP-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.92
Rot. Bonds6

About 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide

5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 110624904) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID110624904
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccccn2)n1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H20N4O2S/c26-19-12-15(13-25(19)17-6-2-1-3-7-17)20(27)23-11-9-16-14-28-21(24-16)18-8-4-5-10-22-18/h1-8,10,14-15H,9,11-13H2,(H,23,27)
InChIKeyWODSTTWGGFLFIP-UHFFFAOYSA-N
XLogP2.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-oxo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1-phenylpyrrolidine-3-carboxamide
CID 39047766
1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46109979
1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 90572176
1-(4-ethoxyphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 24628562
1-(4-methylsulfanylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43050125
(3S)-5-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39044737
1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
1-(4-butylphenyl)-5-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108770425
(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
CID 51896061
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3R)-N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97080842

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide (CID 110624904) is 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1csc(-c2ccccn2)n1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is WODSTTWGGFLFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-19-12-15(13-25(19)17-6-2-1-3-7-17)20(27)23-11-9-16-14-28-21(24-16)18-8-4-5-10-22-18/h1-8,10,14-15H,9,11-13H2,(H,23,27).
What are the key properties of 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110624904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).