1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione

C15H23N3O2S — CID 61192882

IUPAC1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC(C)c2sc(C)nc2C)C1=O
InChIInChI=1S/C15H23N3O2S/c1-6-8(2)18-13(19)7-12(15(18)20)17-10(4)14-9(3)16-11(5)21-14/h8,10,12,17H,6-7H2,1-5H3
InChIKeyALAAHEZGTIGMOH-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.34
Rot. Bonds5

About 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione

1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 61192882) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID61192882
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC(C)c2sc(C)nc2C)C1=O
InChIInChI=1S/C15H23N3O2S/c1-6-8(2)18-13(19)7-12(15(18)20)17-10(4)14-9(3)16-11(5)21-14/h8,10,12,17H,6-7H2,1-5H3
InChIKeyALAAHEZGTIGMOH-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione (CID 61192882) is 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NC(C)c2sc(C)nc2C)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is ALAAHEZGTIGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-6-8(2)18-13(19)7-12(15(18)20)17-10(4)14-9(3)16-11(5)21-14/h8,10,12,17H,6-7H2,1-5H3.
What are the key properties of 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 309.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 61192882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).