1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one

C11H17N3OS — CID 115732004

IUPAC1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1cncs1
InChIInChI=1S/C11H17N3OS/c15-11-3-1-5-14(11)6-2-4-12-7-10-8-13-9-16-10/h8-9,12H,1-7H2
InChIKeyXOISIXUDCCEWGF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.25
Rot. Bonds6

About 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one

1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 115732004) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID115732004
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1cncs1
InChIInChI=1S/C11H17N3OS/c15-11-3-1-5-14(11)6-2-4-12-7-10-8-13-9-16-10/h8-9,12H,1-7H2
InChIKeyXOISIXUDCCEWGF-UHFFFAOYSA-N
XLogP1.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one (CID 115732004) is 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCc1cncs1.
What is the InChIKey of 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is XOISIXUDCCEWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11-3-1-5-14(11)6-2-4-12-7-10-8-13-9-16-10/h8-9,12H,1-7H2.
What are the key properties of 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one?
1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 115732004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).