3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione

C12H11N3O2S — CID 77040071

IUPAC3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
SMILESCc1nc2scc(C)n2c1C=C1CC(=O)NC1=O
InChIInChI=1S/C12H11N3O2S/c1-6-5-18-12-13-7(2)9(15(6)12)3-8-4-10(16)14-11(8)17/h3,5H,4H2,1-2H3,(H,14,16,17)
InChIKeyPYYKFTMSWOCJFW-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.44
Rot. Bonds1

About 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione

3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione (PubChem CID 77040071) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
PubChem CID77040071
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
SMILESCc1nc2scc(C)n2c1C=C1CC(=O)NC1=O
InChIInChI=1S/C12H11N3O2S/c1-6-5-18-12-13-7(2)9(15(6)12)3-8-4-10(16)14-11(8)17/h3,5H,4H2,1-2H3,(H,14,16,17)
InChIKeyPYYKFTMSWOCJFW-UHFFFAOYSA-N
XLogP1.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione (CID 77040071) is 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione is Cc1nc2scc(C)n2c1C=C1CC(=O)NC1=O.
What is the InChIKey of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is PYYKFTMSWOCJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-6-5-18-12-13-7(2)9(15(6)12)3-8-4-10(16)14-11(8)17/h3,5H,4H2,1-2H3,(H,14,16,17).
What are the key properties of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione?
3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 261.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 77040071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).