1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione

C10H13N3O2S — CID 43636073

IUPAC1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2nccs2)C1=O
InChIInChI=1S/C10H13N3O2S/c1-6(2)13-8(14)5-7(9(13)15)12-10-11-3-4-16-10/h3-4,6-7H,5H2,1-2H3,(H,11,12)
InChIKeyZLWWISXCSZOZLR-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.09
Rot. Bonds3

About 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione

1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 43636073) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
PubChem CID43636073
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2nccs2)C1=O
InChIInChI=1S/C10H13N3O2S/c1-6(2)13-8(14)5-7(9(13)15)12-10-11-3-4-16-10/h3-4,6-7H,5H2,1-2H3,(H,11,12)
InChIKeyZLWWISXCSZOZLR-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.09
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-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione (CID 43636073) is 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2nccs2)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is ZLWWISXCSZOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6(2)13-8(14)5-7(9(13)15)12-10-11-3-4-16-10/h3-4,6-7H,5H2,1-2H3,(H,11,12).
What are the key properties of 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 239.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).