1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione

C11H17N3O2S — CID 113496102

IUPAC1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
SMILESCCCC1CN=C(NC2CC(=O)N(C)C2=O)S1
InChIInChI=1S/C11H17N3O2S/c1-3-4-7-6-12-11(17-7)13-8-5-9(15)14(2)10(8)16/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyWOCDOXJRMCEQMB-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.60
Rot. Bonds3

About 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione

1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione (PubChem CID 113496102) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
PubChem CID113496102
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione
SMILESCCCC1CN=C(NC2CC(=O)N(C)C2=O)S1
InChIInChI=1S/C11H17N3O2S/c1-3-4-7-6-12-11(17-7)13-8-5-9(15)14(2)10(8)16/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyWOCDOXJRMCEQMB-UHFFFAOYSA-N
XLogP0.60
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.60
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-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione (CID 113496102) is 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione is CCCC1CN=C(NC2CC(=O)N(C)C2=O)S1.
What is the InChIKey of 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is WOCDOXJRMCEQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-4-7-6-12-11(17-7)13-8-5-9(15)14(2)10(8)16/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione?
1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 255.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 113496102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).