5-(2-aminophenyl)thiophene-2-carbaldehyde

C11H9NOS — CID 83395095

IUPAC5-(2-aminophenyl)thiophene-2-carbaldehyde
SMILESNc1ccccc1-c1ccc(C=O)s1
InChIInChI=1S/C11H9NOS/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H,12H2
InChIKeyMKSYBHZKAPKQKG-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.81
Rot. Bonds2

About 5-(2-aminophenyl)thiophene-2-carbaldehyde

5-(2-aminophenyl)thiophene-2-carbaldehyde (PubChem CID 83395095) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-(2-aminophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-aminophenyl)thiophene-2-carbaldehyde
PubChem CID83395095
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5-(2-aminophenyl)thiophene-2-carbaldehyde
SMILESNc1ccccc1-c1ccc(C=O)s1
InChIInChI=1S/C11H9NOS/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H,12H2
InChIKeyMKSYBHZKAPKQKG-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2-aminophenyl)thiophene-2-carbaldehyde (CID 83395095) is 5-(2-aminophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2-aminophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2-aminophenyl)thiophene-2-carbaldehyde is Nc1ccccc1-c1ccc(C=O)s1.
What is the InChIKey of 5-(2-aminophenyl)thiophene-2-carbaldehyde?
The InChIKey is MKSYBHZKAPKQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H,12H2.
What are the key properties of 5-(2-aminophenyl)thiophene-2-carbaldehyde?
5-(2-aminophenyl)thiophene-2-carbaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 83395095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).