3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione

C12H17N3O2S — CID 61280821

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCc2cnc(C)s2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-3-4-15-11(16)5-10(12(15)17)14-7-9-6-13-8(2)18-9/h6,10,14H,3-5,7H2,1-2H3
InChIKeyRMSVWNOLFSRTEG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.08
Rot. Bonds5

About 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione

3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione (PubChem CID 61280821) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione
PubChem CID61280821
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCc2cnc(C)s2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-3-4-15-11(16)5-10(12(15)17)14-7-9-6-13-8(2)18-9/h6,10,14H,3-5,7H2,1-2H3
InChIKeyRMSVWNOLFSRTEG-UHFFFAOYSA-N
XLogP1.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.08
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 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione (CID 61280821) is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NCc2cnc(C)s2)C1=O.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione?
The InChIKey is RMSVWNOLFSRTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-4-15-11(16)5-10(12(15)17)14-7-9-6-13-8(2)18-9/h6,10,14H,3-5,7H2,1-2H3.
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione?
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione has a molecular weight of 267.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 61280821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).