1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

C25H29N3O3S — CID 45166033

IUPAC1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1C1(CC(=O)N2CCCC2c2nccs2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C25H29N3O3S/c1-17-7-2-5-10-19(17)25(16-22(30)28(24(25)31)18-8-3-4-9-18)15-21(29)27-13-6-11-20(27)23-26-12-14-32-23/h2,5,7,10,12,14,18,20H,3-4,6,8-9,11,13,15-16H2,1H3
InChIKeyUZKCPJHSZHXLQI-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.14
Rot. Bonds5

About 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 45166033) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID45166033
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1C1(CC(=O)N2CCCC2c2nccs2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C25H29N3O3S/c1-17-7-2-5-10-19(17)25(16-22(30)28(24(25)31)18-8-3-4-9-18)15-21(29)27-13-6-11-20(27)23-26-12-14-32-23/h2,5,7,10,12,14,18,20H,3-4,6,8-9,11,13,15-16H2,1H3
InChIKeyUZKCPJHSZHXLQI-UHFFFAOYSA-N
XLogP4.14
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-1-((S)-2-((S)-2-(thiazole-2-carbonyl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)butan-1-one
CID 9802503
4-Phenyl-1-{(S)-2-[(R)-2-(thiazole-2-carbonyl)-pyrrolidine-1-carbonyl]-pyrrolidin-1-yl}-butan-1-one
CID 10342377
[(2S)-1-[(2S)-1-(3-phenylpropyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanone
CID 44453396
(5S,9S)-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471843
(5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471872
(5S,9S)-2-ethyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471899
1-Ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45165812
3-(2-Fluorophenyl)-1-(2-methoxyethyl)-3-{2-oxo-2-[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]ethyl}-2,5-pyrrolidinedione
CID 45176629
2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 45180390
2-[1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 45196790
2-{1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl}-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 45209635
1-Cyclopropyl-3-{2-oxo-2-[2-(1,3-thiazol-2-yl)-1-piperidinyl]ethyl}-3-[3-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione
CID 45211675

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 45166033) is 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is Cc1ccccc1C1(CC(=O)N2CCCC2c2nccs2)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is UZKCPJHSZHXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-17-7-2-5-10-19(17)25(16-22(30)28(24(25)31)18-8-3-4-9-18)15-21(29)27-13-6-11-20(27)23-26-12-14-32-23/h2,5,7,10,12,14,18,20H,3-4,6,8-9,11,13,15-16H2,1H3.
What are the key properties of 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 451.59 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45166033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).