8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid

C26H20N2O4S — CID 46933147

IUPAC8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid
SMILESO=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCOCC5)cc4)n3)cc12
InChIInChI=1S/C26H20N2O4S/c29-26(30)20-3-1-2-19-21-14-17(6-9-23(21)32-24(19)20)22-15-33-25(27-22)16-4-7-18(8-5-16)28-10-12-31-13-11-28/h1-9,14-15H,10-13H2,(H,29,30)
InChIKeySLWQLQNFZFZLSD-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.91
Rot. Bonds4

About 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid

8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid (PubChem CID 46933147) has the molecular formula C26H20N2O4S and a molecular weight of 456.52 g/mol. Its IUPAC name is 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid.

Molecular Properties

Compound Name8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid
PubChem CID46933147
Molecular FormulaC26H20N2O4S
Molecular Weight456.52 g/mol
Exact Mass456.11
IUPAC Name8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid
SMILESO=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCOCC5)cc4)n3)cc12
InChIInChI=1S/C26H20N2O4S/c29-26(30)20-3-1-2-19-21-14-17(6-9-23(21)32-24(19)20)22-15-33-25(27-22)16-4-7-18(8-5-16)28-10-12-31-13-11-28/h1-9,14-15H,10-13H2,(H,29,30)
InChIKeySLWQLQNFZFZLSD-UHFFFAOYSA-N
XLogP5.91
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid?
The IUPAC name of 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid (CID 46933147) is 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid.
What is the SMILES notation for 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid?
The canonical SMILES for 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid is O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCOCC5)cc4)n3)cc12.
What is the InChIKey of 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid?
The InChIKey is SLWQLQNFZFZLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4S/c29-26(30)20-3-1-2-19-21-14-17(6-9-23(21)32-24(19)20)22-15-33-25(27-22)16-4-7-18(8-5-16)28-10-12-31-13-11-28/h1-9,14-15H,10-13H2,(H,29,30).
What are the key properties of 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid?
8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid has a molecular weight of 456.52 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid is sourced from PubChem (CID 46933147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).