4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline

C15H10FN3S — CID 54584491

IUPAC4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESNc1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1
InChIInChI=1S/C15H10FN3S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H,17H2
InChIKeyITLNJFMGWTXGNT-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.94
Rot. Bonds1

About 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline

4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (PubChem CID 54584491) has the molecular formula C15H10FN3S and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
PubChem CID54584491
Molecular FormulaC15H10FN3S
Molecular Weight283.33 g/mol
Exact Mass283.06
IUPAC Name4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESNc1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1
InChIInChI=1S/C15H10FN3S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H,17H2
InChIKeyITLNJFMGWTXGNT-UHFFFAOYSA-N
XLogP3.94
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline 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 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The IUPAC name of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (CID 54584491) is 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.
What is the SMILES notation for 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The canonical SMILES for 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is Nc1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The InChIKey is ITLNJFMGWTXGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H,17H2.
What are the key properties of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline has a molecular weight of 283.33 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is sourced from PubChem (CID 54584491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).