2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde

C11H11N3OS — CID 118946252

IUPAC2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde
SMILESNc1nccc(-c2ccc(CC=O)s2)c1N
InChIInChI=1S/C11H11N3OS/c12-10-8(3-5-14-11(10)13)9-2-1-7(16-9)4-6-15/h1-3,5-6H,4,12H2,(H2,13,14)
InChIKeyBOSZDZUNCMRMNS-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.72
Rot. Bonds3

About 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde

2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde (PubChem CID 118946252) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde
PubChem CID118946252
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde
SMILESNc1nccc(-c2ccc(CC=O)s2)c1N
InChIInChI=1S/C11H11N3OS/c12-10-8(3-5-14-11(10)13)9-2-1-7(16-9)4-6-15/h1-3,5-6H,4,12H2,(H2,13,14)
InChIKeyBOSZDZUNCMRMNS-UHFFFAOYSA-N
XLogP1.72
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde 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 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde?
The IUPAC name of 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde (CID 118946252) is 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde?
The canonical SMILES for 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde is Nc1nccc(-c2ccc(CC=O)s2)c1N.
What is the InChIKey of 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde?
The InChIKey is BOSZDZUNCMRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-10-8(3-5-14-11(10)13)9-2-1-7(16-9)4-6-15/h1-3,5-6H,4,12H2,(H2,13,14).
What are the key properties of 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde?
2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde has a molecular weight of 233.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde is sourced from PubChem (CID 118946252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).