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

C10H10N2S — CID 69383856

IUPAC2-thiophen-2-ylbenzene-1,3-diamine
SMILESNc1cccc(N)c1-c1cccs1
InChIInChI=1S/C10H10N2S/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9/h1-6H,11-12H2
InChIKeyFSGKEAVZTNFUMY-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.58
Rot. Bonds1

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

2-thiophen-2-ylbenzene-1,3-diamine (PubChem CID 69383856) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-thiophen-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-thiophen-2-ylbenzene-1,3-diamine
PubChem CID69383856
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-thiophen-2-ylbenzene-1,3-diamine
SMILESNc1cccc(N)c1-c1cccs1
InChIInChI=1S/C10H10N2S/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9/h1-6H,11-12H2
InChIKeyFSGKEAVZTNFUMY-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 2-thiophen-2-ylbenzene-1,3-diamine?
The IUPAC name of 2-thiophen-2-ylbenzene-1,3-diamine (CID 69383856) is 2-thiophen-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 2-thiophen-2-ylbenzene-1,3-diamine?
The canonical SMILES for 2-thiophen-2-ylbenzene-1,3-diamine is Nc1cccc(N)c1-c1cccs1.
What is the InChIKey of 2-thiophen-2-ylbenzene-1,3-diamine?
The InChIKey is FSGKEAVZTNFUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9/h1-6H,11-12H2.
What are the key properties of 2-thiophen-2-ylbenzene-1,3-diamine?
2-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 2-thiophen-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 69383856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).