1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione

C14H21N3O2S — CID 84591263

IUPAC1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc(C(C)(C)NCCN2C(=O)CCC2=O)sc1C
InChIInChI=1S/C14H21N3O2S/c1-9-10(2)20-13(16-9)14(3,4)15-7-8-17-11(18)5-6-12(17)19/h15H,5-8H2,1-4H3
InChIKeyUNWMBYFAZKHWIR-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione

1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione (PubChem CID 84591263) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione
PubChem CID84591263
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc(C(C)(C)NCCN2C(=O)CCC2=O)sc1C
InChIInChI=1S/C14H21N3O2S/c1-9-10(2)20-13(16-9)14(3,4)15-7-8-17-11(18)5-6-12(17)19/h15H,5-8H2,1-4H3
InChIKeyUNWMBYFAZKHWIR-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.73
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-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione (CID 84591263) is 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione is Cc1nc(C(C)(C)NCCN2C(=O)CCC2=O)sc1C.
What is the InChIKey of 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is UNWMBYFAZKHWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-10(2)20-13(16-9)14(3,4)15-7-8-17-11(18)5-6-12(17)19/h15H,5-8H2,1-4H3.
What are the key properties of 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 295.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 84591263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).