2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline

C25H15FN2OS — CID 138712054

IUPAC2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline
SMILESNc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cc(F)cc2s1
InChIInChI=1S/C25H15FN2OS/c26-14-12-19(17-9-5-8-16-15-6-2-4-11-21(15)29-24(16)17)23-22(13-14)30-25(28-23)18-7-1-3-10-20(18)27/h1-13H,27H2
InChIKeyCNPUNUATRJCMBF-UHFFFAOYSA-N
MW410.47 g/mol
LogP7.25
Rot. Bonds2

About 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline

2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline (PubChem CID 138712054) has the molecular formula C25H15FN2OS and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline
PubChem CID138712054
Molecular FormulaC25H15FN2OS
Molecular Weight410.47 g/mol
Exact Mass410.09
IUPAC Name2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline
SMILESNc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cc(F)cc2s1
InChIInChI=1S/C25H15FN2OS/c26-14-12-19(17-9-5-8-16-15-6-2-4-11-21(15)29-24(16)17)23-22(13-14)30-25(28-23)18-7-1-3-10-20(18)27/h1-13H,27H2
InChIKeyCNPUNUATRJCMBF-UHFFFAOYSA-N
XLogP7.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline (CID 138712054) is 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline is Nc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cc(F)cc2s1.
What is the InChIKey of 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline?
The InChIKey is CNPUNUATRJCMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN2OS/c26-14-12-19(17-9-5-8-16-15-6-2-4-11-21(15)29-24(16)17)23-22(13-14)30-25(28-23)18-7-1-3-10-20(18)27/h1-13H,27H2.
What are the key properties of 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline?
2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline has a molecular weight of 410.47 g/mol, XLogP of 7.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 138712054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).