3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C21H26N6O3S — CID 110265209

IUPAC3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1nc(Nc2cccc(C3CCCN3C(=O)CN3C(=O)NC(C)(C)C3=O)n2)sc1C
InChIInChI=1S/C21H26N6O3S/c1-12-13(2)31-19(22-12)24-16-9-5-7-14(23-16)15-8-6-10-26(15)17(28)11-27-18(29)21(3,4)25-20(27)30/h5,7,9,15H,6,8,10-11H2,1-4H3,(H,25,30)(H,22,23,24)
InChIKeyADQABNBISXHBTI-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.89
Rot. Bonds5

About 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 110265209) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID110265209
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC Name3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1nc(Nc2cccc(C3CCCN3C(=O)CN3C(=O)NC(C)(C)C3=O)n2)sc1C
InChIInChI=1S/C21H26N6O3S/c1-12-13(2)31-19(22-12)24-16-9-5-7-14(23-16)15-8-6-10-26(15)17(28)11-27-18(29)21(3,4)25-20(27)30/h5,7,9,15H,6,8,10-11H2,1-4H3,(H,25,30)(H,22,23,24)
InChIKeyADQABNBISXHBTI-UHFFFAOYSA-N
XLogP2.89
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95842802
5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124953316
2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835387
1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 124966605
2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110093792
2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 171687472
2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835392
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835314
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265059
3-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 41144846
4,6-dimethyl-1-[3-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidin-2-one
CID 110265230
3-(2-methylphenoxy)-1-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124962669

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 110265209) is 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1nc(Nc2cccc(C3CCCN3C(=O)CN3C(=O)NC(C)(C)C3=O)n2)sc1C.
What is the InChIKey of 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ADQABNBISXHBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-12-13(2)31-19(22-12)24-16-9-5-7-14(23-16)15-8-6-10-26(15)17(28)11-27-18(29)21(3,4)25-20(27)30/h5,7,9,15H,6,8,10-11H2,1-4H3,(H,25,30)(H,22,23,24).
What are the key properties of 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 442.55 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 110265209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).