N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine

C14H16N2S — CID 103786961

IUPACN-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine
SMILESC#CCCCNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C14H16N2S/c1-3-4-5-7-15-11(2)12-9-14-13(16-10-12)6-8-17-14/h1,6,8-11,15H,4-5,7H2,2H3
InChIKeyUFVBZHVBKDJPNH-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.36
Rot. Bonds5

About N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine

N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine (PubChem CID 103786961) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine
PubChem CID103786961
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine
SMILESC#CCCCNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C14H16N2S/c1-3-4-5-7-15-11(2)12-9-14-13(16-10-12)6-8-17-14/h1,6,8-11,15H,4-5,7H2,2H3
InChIKeyUFVBZHVBKDJPNH-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine 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)pent-4-yn-1-amine?
The IUPAC name of N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine (CID 103786961) is N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine?
The canonical SMILES for N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine is C#CCCCNC(C)c1cnc2ccsc2c1.
What is the InChIKey of N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine?
The InChIKey is UFVBZHVBKDJPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-3-4-5-7-15-11(2)12-9-14-13(16-10-12)6-8-17-14/h1,6,8-11,15H,4-5,7H2,2H3.
What are the key properties of N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine?
N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine has a molecular weight of 244.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine is sourced from PubChem (CID 103786961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).