4-thiophen-2-ylbenzene-1,2-diamine

C10H10N2S — CID 13007805

IUPAC4-thiophen-2-ylbenzene-1,2-diamine
SMILESNc1ccc(-c2cccs2)cc1N
InChIInChI=1S/C10H10N2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,11-12H2
InChIKeyXWTMGMKBRLLEFX-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.58
Rot. Bonds1

About 4-thiophen-2-ylbenzene-1,2-diamine

4-thiophen-2-ylbenzene-1,2-diamine (PubChem CID 13007805) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 4-thiophen-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-thiophen-2-ylbenzene-1,2-diamine
PubChem CID13007805
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name4-thiophen-2-ylbenzene-1,2-diamine
SMILESNc1ccc(-c2cccs2)cc1N
InChIInChI=1S/C10H10N2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,11-12H2
InChIKeyXWTMGMKBRLLEFX-UHFFFAOYSA-N
XLogP2.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-thiophen-2-ylbenzene-1,2-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-2-ylbenzene-1,2-diamine?
The IUPAC name of 4-thiophen-2-ylbenzene-1,2-diamine (CID 13007805) is 4-thiophen-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-thiophen-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4-thiophen-2-ylbenzene-1,2-diamine is Nc1ccc(-c2cccs2)cc1N.
What is the InChIKey of 4-thiophen-2-ylbenzene-1,2-diamine?
The InChIKey is XWTMGMKBRLLEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,11-12H2.
What are the key properties of 4-thiophen-2-ylbenzene-1,2-diamine?
4-thiophen-2-ylbenzene-1,2-diamine has a molecular weight of 190.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 13007805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).