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

C12H10N4S — CID 107802796

IUPAC4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
SMILESNc1cnccc1Nc1ccc2ncsc2c1
InChIInChI=1S/C12H10N4S/c13-9-6-14-4-3-10(9)16-8-1-2-11-12(5-8)17-7-15-11/h1-7H,13H2,(H,14,16)
InChIKeyZUNNBLKFXYJFSY-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.02
Rot. Bonds2

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

4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine (PubChem CID 107802796) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
PubChem CID107802796
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
SMILESNc1cnccc1Nc1ccc2ncsc2c1
InChIInChI=1S/C12H10N4S/c13-9-6-14-4-3-10(9)16-8-1-2-11-12(5-8)17-7-15-11/h1-7H,13H2,(H,14,16)
InChIKeyZUNNBLKFXYJFSY-UHFFFAOYSA-N
XLogP3.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
CID 107802808
2-N-(1,3-benzothiazol-6-yl)-4-fluorobenzene-1,2-diamine
CID 107802777
1-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107802771
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
2-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 107802835
1-N-(1,3-benzothiazol-6-yl)-3-fluorobenzene-1,2-diamine
CID 107802773
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
CID 107800531
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 107801949
4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
CID 29066314

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine (CID 107802796) is 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine is Nc1cnccc1Nc1ccc2ncsc2c1.
What is the InChIKey of 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine?
The InChIKey is ZUNNBLKFXYJFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-9-6-14-4-3-10(9)16-8-1-2-11-12(5-8)17-7-15-11/h1-7H,13H2,(H,14,16).
What are the key properties of 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine?
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine has a molecular weight of 242.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine is sourced from PubChem (CID 107802796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).