1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione

C13H19N3O2S — CID 61284447

IUPAC1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCc2nccs2)C1=O
InChIInChI=1S/C13H19N3O2S/c1-3-9(4-2)16-12(17)7-10(13(16)18)15-8-11-14-5-6-19-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyREJXGMLEKONEJD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.55
Rot. Bonds6

About 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione

1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 61284447) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID61284447
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCc2nccs2)C1=O
InChIInChI=1S/C13H19N3O2S/c1-3-9(4-2)16-12(17)7-10(13(16)18)15-8-11-14-5-6-19-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyREJXGMLEKONEJD-UHFFFAOYSA-N
XLogP1.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 64529830
3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 106397757
3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 61004431
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 43638643
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
CID 43638073
N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide
CID 115356356
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61284446
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 106104436
tert-butyl N-[2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 104932989
3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637986
1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrrolidine-2,5-dione
CID 54913176

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione (CID 61284447) is 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(NCc2nccs2)C1=O.
What is the InChIKey of 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is REJXGMLEKONEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-9(4-2)16-12(17)7-10(13(16)18)15-8-11-14-5-6-19-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione?
1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 281.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 61284447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).