4-thiophen-2-ylbenzene-1,3-diamine

C10H10N2S — CID 22644265

IUPAC4-thiophen-2-ylbenzene-1,3-diamine
SMILESNc1ccc(-c2cccs2)c(N)c1
InChIInChI=1S/C10H10N2S/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h1-6H,11-12H2
InChIKeyPSLCEZMTISQAEV-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.58
Rot. Bonds1

About 4-thiophen-2-ylbenzene-1,3-diamine

4-thiophen-2-ylbenzene-1,3-diamine (PubChem CID 22644265) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 4-thiophen-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-thiophen-2-ylbenzene-1,3-diamine
PubChem CID22644265
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name4-thiophen-2-ylbenzene-1,3-diamine
SMILESNc1ccc(-c2cccs2)c(N)c1
InChIInChI=1S/C10H10N2S/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h1-6H,11-12H2
InChIKeyPSLCEZMTISQAEV-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-thiophen-2-ylbenzene-1,3-diamine (CID 22644265) is 4-thiophen-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-thiophen-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-thiophen-2-ylbenzene-1,3-diamine is Nc1ccc(-c2cccs2)c(N)c1.
What is the InChIKey of 4-thiophen-2-ylbenzene-1,3-diamine?
The InChIKey is PSLCEZMTISQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h1-6H,11-12H2.
What are the key properties of 4-thiophen-2-ylbenzene-1,3-diamine?
4-thiophen-2-ylbenzene-1,3-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-1,3-diamine is sourced from PubChem (CID 22644265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).