4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine

C13H10FN5S — CID 102044948

IUPAC4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine
SMILESNc1ccc(/N=N/c2nc3ccc(F)cc3s2)c(N)c1
InChIInChI=1S/C13H10FN5S/c14-7-1-3-11-12(5-7)20-13(17-11)19-18-10-4-2-8(15)6-9(10)16/h1-6H,15-16H2/b19-18+
InChIKeyYRIFFPRGECVZHJ-VHEBQXMUSA-N
MW287.32 g/mol
LogP4.02
Rot. Bonds2

About 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine

4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine (PubChem CID 102044948) has the molecular formula C13H10FN5S and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine
PubChem CID102044948
Molecular FormulaC13H10FN5S
Molecular Weight287.32 g/mol
Exact Mass287.06
IUPAC Name4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine
SMILESNc1ccc(/N=N/c2nc3ccc(F)cc3s2)c(N)c1
InChIInChI=1S/C13H10FN5S/c14-7-1-3-11-12(5-7)20-13(17-11)19-18-10-4-2-8(15)6-9(10)16/h1-6H,15-16H2/b19-18+
InChIKeyYRIFFPRGECVZHJ-VHEBQXMUSA-N
XLogP4.02
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine 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-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine?
The IUPAC name of 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine (CID 102044948) is 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine.
What is the SMILES notation for 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine?
The canonical SMILES for 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine is Nc1ccc(/N=N/c2nc3ccc(F)cc3s2)c(N)c1.
What is the InChIKey of 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine?
The InChIKey is YRIFFPRGECVZHJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H10FN5S/c14-7-1-3-11-12(5-7)20-13(17-11)19-18-10-4-2-8(15)6-9(10)16/h1-6H,15-16H2/b19-18+.
What are the key properties of 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine?
4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine has a molecular weight of 287.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine is sourced from PubChem (CID 102044948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).