1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione

C14H19N3O3S — CID 106380611

IUPAC1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2csc(=O)[nH]2)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H19N3O3S/c18-12-6-11(15-7-9-8-21-14(20)16-9)13(19)17(12)10-4-2-1-3-5-10/h8,10-11,15H,1-7H2,(H,16,20)
InChIKeyYQSYRXVCSMWEEV-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.99
Rot. Bonds4

About 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione

1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 106380611) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID106380611
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2csc(=O)[nH]2)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H19N3O3S/c18-12-6-11(15-7-9-8-21-14(20)16-9)13(19)17(12)10-4-2-1-3-5-10/h8,10-11,15H,1-7H2,(H,16,20)
InChIKeyYQSYRXVCSMWEEV-UHFFFAOYSA-N
XLogP0.99
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
CID 43637329
1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione
CID 54885174
1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione
CID 65244105
1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166039
1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 63242075
3-(butylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 43637456
2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
CID 43637319
1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione
CID 106211201
1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 82882121
1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
CID 106188046
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 63302271
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 63242031

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione (CID 106380611) is 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione is O=C1CC(NCc2csc(=O)[nH]2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is YQSYRXVCSMWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-12-6-11(15-7-9-8-21-14(20)16-9)13(19)17(12)10-4-2-1-3-5-10/h8,10-11,15H,1-7H2,(H,16,20).
What are the key properties of 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione?
1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 309.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106380611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).