4-thiophen-3-ylpyridine-2,3-diamine

C9H9N3S — CID 118914538

IUPAC4-thiophen-3-ylpyridine-2,3-diamine
SMILESNc1nccc(-c2ccsc2)c1N
InChIInChI=1S/C9H9N3S/c10-8-7(1-3-12-9(8)11)6-2-4-13-5-6/h1-5H,10H2,(H2,11,12)
InChIKeyKQXDHWPHLISIHZ-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.97
Rot. Bonds1

About 4-thiophen-3-ylpyridine-2,3-diamine

4-thiophen-3-ylpyridine-2,3-diamine (PubChem CID 118914538) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-thiophen-3-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name4-thiophen-3-ylpyridine-2,3-diamine
PubChem CID118914538
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name4-thiophen-3-ylpyridine-2,3-diamine
SMILESNc1nccc(-c2ccsc2)c1N
InChIInChI=1S/C9H9N3S/c10-8-7(1-3-12-9(8)11)6-2-4-13-5-6/h1-5H,10H2,(H2,11,12)
InChIKeyKQXDHWPHLISIHZ-UHFFFAOYSA-N
XLogP1.97
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-thiophen-3-ylpyridine-2,3-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 4-thiophen-3-ylpyridine-2,3-diamine?
The IUPAC name of 4-thiophen-3-ylpyridine-2,3-diamine (CID 118914538) is 4-thiophen-3-ylpyridine-2,3-diamine.
What is the SMILES notation for 4-thiophen-3-ylpyridine-2,3-diamine?
The canonical SMILES for 4-thiophen-3-ylpyridine-2,3-diamine is Nc1nccc(-c2ccsc2)c1N.
What is the InChIKey of 4-thiophen-3-ylpyridine-2,3-diamine?
The InChIKey is KQXDHWPHLISIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-8-7(1-3-12-9(8)11)6-2-4-13-5-6/h1-5H,10H2,(H2,11,12).
What are the key properties of 4-thiophen-3-ylpyridine-2,3-diamine?
4-thiophen-3-ylpyridine-2,3-diamine has a molecular weight of 191.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-ylpyridine-2,3-diamine is sourced from PubChem (CID 118914538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).