bis[3-(4-aminophenyl)thiophen-2-yl]methanone

C21H16N2OS2 — CID 21146176

IUPACbis[3-(4-aminophenyl)thiophen-2-yl]methanone
SMILESNc1ccc(-c2ccsc2C(=O)c2sccc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C21H16N2OS2/c22-15-5-1-13(2-6-15)17-9-11-25-20(17)19(24)21-18(10-12-26-21)14-3-7-16(23)8-4-14/h1-12H,22-23H2
InChIKeyFJHGZNCZYNINHG-UHFFFAOYSA-N
MW376.51 g/mol
LogP5.54
Rot. Bonds4

About bis[3-(4-aminophenyl)thiophen-2-yl]methanone

bis[3-(4-aminophenyl)thiophen-2-yl]methanone (PubChem CID 21146176) has the molecular formula C21H16N2OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is bis[3-(4-aminophenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namebis[3-(4-aminophenyl)thiophen-2-yl]methanone
PubChem CID21146176
Molecular FormulaC21H16N2OS2
Molecular Weight376.51 g/mol
Exact Mass376.07
IUPAC Namebis[3-(4-aminophenyl)thiophen-2-yl]methanone
SMILESNc1ccc(-c2ccsc2C(=O)c2sccc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C21H16N2OS2/c22-15-5-1-13(2-6-15)17-9-11-25-20(17)19(24)21-18(10-12-26-21)14-3-7-16(23)8-4-14/h1-12H,22-23H2
InChIKeyFJHGZNCZYNINHG-UHFFFAOYSA-N
XLogP5.54
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[3-(4-aminophenyl)thiophen-2-yl]methanone?
The IUPAC name of bis[3-(4-aminophenyl)thiophen-2-yl]methanone (CID 21146176) is bis[3-(4-aminophenyl)thiophen-2-yl]methanone.
What is the SMILES notation for bis[3-(4-aminophenyl)thiophen-2-yl]methanone?
The canonical SMILES for bis[3-(4-aminophenyl)thiophen-2-yl]methanone is Nc1ccc(-c2ccsc2C(=O)c2sccc2-c2ccc(N)cc2)cc1.
What is the InChIKey of bis[3-(4-aminophenyl)thiophen-2-yl]methanone?
The InChIKey is FJHGZNCZYNINHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS2/c22-15-5-1-13(2-6-15)17-9-11-25-20(17)19(24)21-18(10-12-26-21)14-3-7-16(23)8-4-14/h1-12H,22-23H2.
What are the key properties of bis[3-(4-aminophenyl)thiophen-2-yl]methanone?
bis[3-(4-aminophenyl)thiophen-2-yl]methanone has a molecular weight of 376.51 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(4-aminophenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 21146176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).