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

C15H21N3O2S — CID 61464907

IUPAC1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
SMILESCc1nc(NC2CC(=O)N(C3CCCCC3)C2=O)sc1C
InChIInChI=1S/C15H21N3O2S/c1-9-10(2)21-15(16-9)17-12-8-13(19)18(14(12)20)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3,(H,16,17)
InChIKeyXGPSBFAPLQMUSC-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.63
Rot. Bonds3

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

1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione (PubChem CID 61464907) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
PubChem CID61464907
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
SMILESCc1nc(NC2CC(=O)N(C3CCCCC3)C2=O)sc1C
InChIInChI=1S/C15H21N3O2S/c1-9-10(2)21-15(16-9)17-12-8-13(19)18(14(12)20)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3,(H,16,17)
InChIKeyXGPSBFAPLQMUSC-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.63
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-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione (CID 61464907) is 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione is Cc1nc(NC2CC(=O)N(C3CCCCC3)C2=O)sc1C.
What is the InChIKey of 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is XGPSBFAPLQMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9-10(2)21-15(16-9)17-12-8-13(19)18(14(12)20)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 307.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 61464907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).