3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione

C8H9N3O2S — CID 61284446

IUPAC3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2nccs2)C(=O)N1
InChIInChI=1S/C8H9N3O2S/c12-6-3-5(8(13)11-6)10-4-7-9-1-2-14-7/h1-2,5,10H,3-4H2,(H,11,12,13)
InChIKeyGPTXRIDADAJXEG-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.35
Rot. Bonds3

About 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione

3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 61284446) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID61284446
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2nccs2)C(=O)N1
InChIInChI=1S/C8H9N3O2S/c12-6-3-5(8(13)11-6)10-4-7-9-1-2-14-7/h1-2,5,10H,3-4H2,(H,11,12,13)
InChIKeyGPTXRIDADAJXEG-UHFFFAOYSA-N
XLogP-0.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
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-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione (CID 61284446) is 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2nccs2)C(=O)N1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is GPTXRIDADAJXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-6-3-5(8(13)11-6)10-4-7-9-1-2-14-7/h1-2,5,10H,3-4H2,(H,11,12,13).
What are the key properties of 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione?
3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 211.25 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 61284446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).