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

C8H9N3O2S — CID 43635903

IUPAC1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nccs2)C1=O
InChIInChI=1S/C8H9N3O2S/c1-11-6(12)4-5(7(11)13)10-8-9-2-3-14-8/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyUUIRCTNSRPRWOT-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.31
Rot. Bonds2

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

1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 43635903) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
PubChem CID43635903
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nccs2)C1=O
InChIInChI=1S/C8H9N3O2S/c1-11-6(12)4-5(7(11)13)10-8-9-2-3-14-8/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyUUIRCTNSRPRWOT-UHFFFAOYSA-N
XLogP0.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.31
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-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione (CID 43635903) is 1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione is CN1C(=O)CC(Nc2nccs2)C1=O.
What is the InChIKey of 1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is UUIRCTNSRPRWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-11-6(12)4-5(7(11)13)10-8-9-2-3-14-8/h2-3,5H,4H2,1H3,(H,9,10).
What are the key properties of 1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione?
1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 211.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43635903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).