N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine

C13H19N3S — CID 64830758

IUPACN'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
SMILESCC(NCCCCN)c1cnc2ccsc2c1
InChIInChI=1S/C13H19N3S/c1-10(15-6-3-2-5-14)11-8-13-12(16-9-11)4-7-17-13/h4,7-10,15H,2-3,5-6,14H2,1H3
InChIKeyJKQMKEJCDZUSLI-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.69
Rot. Bonds6

About N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine

N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine (PubChem CID 64830758) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
PubChem CID64830758
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
SMILESCC(NCCCCN)c1cnc2ccsc2c1
InChIInChI=1S/C13H19N3S/c1-10(15-6-3-2-5-14)11-8-13-12(16-9-11)4-7-17-13/h4,7-10,15H,2-3,5-6,14H2,1H3
InChIKeyJKQMKEJCDZUSLI-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine?
The IUPAC name of N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine (CID 64830758) is N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine.
What is the SMILES notation for N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine?
The canonical SMILES for N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine is CC(NCCCCN)c1cnc2ccsc2c1.
What is the InChIKey of N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine?
The InChIKey is JKQMKEJCDZUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(15-6-3-2-5-14)11-8-13-12(16-9-11)4-7-17-13/h4,7-10,15H,2-3,5-6,14H2,1H3.
What are the key properties of N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine?
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine has a molecular weight of 249.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 64830758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).