1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione

C15H21N3O2S — CID 63242075

IUPAC1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2nccs2)C(=O)N1C1CCCCC1
InChIInChI=1S/C15H21N3O2S/c19-14-10-12(16-7-6-13-17-8-9-21-13)15(20)18(14)11-4-2-1-3-5-11/h8-9,11-12,16H,1-7,10H2
InChIKeyBPUABYMLECBEKO-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.74
Rot. Bonds5

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

1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 63242075) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID63242075
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2nccs2)C(=O)N1C1CCCCC1
InChIInChI=1S/C15H21N3O2S/c19-14-10-12(16-7-6-13-17-8-9-21-13)15(20)18(14)11-4-2-1-3-5-11/h8-9,11-12,16H,1-7,10H2
InChIKeyBPUABYMLECBEKO-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.74
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

1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 63242031
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43637482
1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 80683011
3-(butylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 43637456
1-cyclopentyl-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 65231833
1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
CID 43637329
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
1-cyclohexyl-3-[2-[ethyl(methyl)amino]ethylamino]pyrrolidine-2,5-dione
CID 62635609
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
CID 104759895
1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
CID 115567309
1-cyclopentyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43637333
1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 106380611

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione (CID 63242075) is 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCc2nccs2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is BPUABYMLECBEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-14-10-12(16-7-6-13-17-8-9-21-13)15(20)18(14)11-4-2-1-3-5-11/h8-9,11-12,16H,1-7,10H2.
What are the key properties of 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 307.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 63242075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).