1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione

C20H12N2O4S2 — CID 1354059

IUPAC1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(-c2nc3scc(-c4cccs4)c3c(=O)o2)cc1
InChIInChI=1S/C20H12N2O4S2/c23-15-7-8-16(24)22(15)12-5-3-11(4-6-12)18-21-19-17(20(25)26-18)13(10-28-19)14-2-1-9-27-14/h1-6,9-10H,7-8H2
InChIKeyZNNRPSUHUFLJDM-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.30
Rot. Bonds3

About 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione

1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione (PubChem CID 1354059) has the molecular formula C20H12N2O4S2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione
PubChem CID1354059
Molecular FormulaC20H12N2O4S2
Molecular Weight408.46 g/mol
Exact Mass408.02
IUPAC Name1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(-c2nc3scc(-c4cccs4)c3c(=O)o2)cc1
InChIInChI=1S/C20H12N2O4S2/c23-15-7-8-16(24)22(15)12-5-3-11(4-6-12)18-21-19-17(20(25)26-18)13(10-28-19)14-2-1-9-27-14/h1-6,9-10H,7-8H2
InChIKeyZNNRPSUHUFLJDM-UHFFFAOYSA-N
XLogP4.30
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione (CID 1354059) is 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(-c2nc3scc(-c4cccs4)c3c(=O)o2)cc1.
What is the InChIKey of 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is ZNNRPSUHUFLJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4S2/c23-15-7-8-16(24)22(15)12-5-3-11(4-6-12)18-21-19-17(20(25)26-18)13(10-28-19)14-2-1-9-27-14/h1-6,9-10H,7-8H2.
What are the key properties of 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione?
1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 408.46 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1354059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).