4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine

C12H10N4S — CID 166636171

IUPAC4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3ncsc3c2)cc(N)n1
InChIInChI=1S/C12H10N4S/c13-11-4-8(5-12(14)16-11)7-1-2-9-10(3-7)17-6-15-9/h1-6H,(H4,13,14,16)
InChIKeySTIKWXYSQBZFJB-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.52
Rot. Bonds1

About 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine

4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine (PubChem CID 166636171) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine
PubChem CID166636171
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3ncsc3c2)cc(N)n1
InChIInChI=1S/C12H10N4S/c13-11-4-8(5-12(14)16-11)7-1-2-9-10(3-7)17-6-15-9/h1-6H,(H4,13,14,16)
InChIKeySTIKWXYSQBZFJB-UHFFFAOYSA-N
XLogP2.52
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-benzothiazol-6-yl)pyridine-2,6-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-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine (CID 166636171) is 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine is Nc1cc(-c2ccc3ncsc3c2)cc(N)n1.
What is the InChIKey of 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine?
The InChIKey is STIKWXYSQBZFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-11-4-8(5-12(14)16-11)7-1-2-9-10(3-7)17-6-15-9/h1-6H,(H4,13,14,16).
What are the key properties of 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine?
4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-yl)pyridine-2,6-diamine is sourced from PubChem (CID 166636171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).