4-(1-benzothiophen-5-yl)pyridine-2,6-diamine

C13H11N3S — CID 166632958

IUPAC4-(1-benzothiophen-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3sccc3c2)cc(N)n1
InChIInChI=1S/C13H11N3S/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16)
InChIKeyWFESKHXGCITNHT-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.13
Rot. Bonds1

About 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine

4-(1-benzothiophen-5-yl)pyridine-2,6-diamine (PubChem CID 166632958) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1-benzothiophen-5-yl)pyridine-2,6-diamine
PubChem CID166632958
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name4-(1-benzothiophen-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3sccc3c2)cc(N)n1
InChIInChI=1S/C13H11N3S/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16)
InChIKeyWFESKHXGCITNHT-UHFFFAOYSA-N
XLogP3.13
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzothiophen-5-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

Related Compounds

6-(Thiophen-3-Yl)quinolin-2-Amine
CID 53346492
2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
3-(4-Aminophenyl)thieno(3,2-c)pyridin-4-amine
CID 18450753
3-(2-Thienyl)-2-quinolinamine
CID 1480775
3-Thiophen-2-ylisoquinolin-1-amine
CID 24955965
3-Phenylthieno[3,2-c]pyridin-4-amine
CID 44425581
1-Azido-5-methyl-3-thiophen-2-ylisoquinoline
CID 90681581
2-Amino-6-phenyl-4-(thiophen-3-yl)pyridine-3-carbonitrile
CID 44817523
2-Pyridin-4-yl-1-benzothiophene-5-carboximidamide
CID 85945253
3-Thiophen-2-ylisoquinolin-1-amine;hydrochloride
CID 90681463
1-Thiophen-3-ylisoquinolin-3-amine
CID 172434486

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine (CID 166632958) is 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine is Nc1cc(-c2ccc3sccc3c2)cc(N)n1.
What is the InChIKey of 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine?
The InChIKey is WFESKHXGCITNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16).
What are the key properties of 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine?
4-(1-benzothiophen-5-yl)pyridine-2,6-diamine has a molecular weight of 241.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 166632958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).