4-aminothiophene-2-carbaldehyde

C5H5NOS — CID 14913272

IUPAC4-aminothiophene-2-carbaldehyde
SMILESNc1csc(C=O)c1
InChIInChI=1S/C5H5NOS/c6-4-1-5(2-7)8-3-4/h1-3H,6H2
InChIKeyNIQMAYUPRXWGBU-UHFFFAOYSA-N
MW127.17 g/mol
LogP1.14
Rot. Bonds1

About 4-aminothiophene-2-carbaldehyde

4-aminothiophene-2-carbaldehyde (PubChem CID 14913272) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is 4-aminothiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-aminothiophene-2-carbaldehyde
PubChem CID14913272
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name4-aminothiophene-2-carbaldehyde
SMILESNc1csc(C=O)c1
InChIInChI=1S/C5H5NOS/c6-4-1-5(2-7)8-3-4/h1-3H,6H2
InChIKeyNIQMAYUPRXWGBU-UHFFFAOYSA-N
XLogP1.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminothiophene-2-carbaldehyde?
The IUPAC name of 4-aminothiophene-2-carbaldehyde (CID 14913272) is 4-aminothiophene-2-carbaldehyde.
What is the SMILES notation for 4-aminothiophene-2-carbaldehyde?
The canonical SMILES for 4-aminothiophene-2-carbaldehyde is Nc1csc(C=O)c1.
What is the InChIKey of 4-aminothiophene-2-carbaldehyde?
The InChIKey is NIQMAYUPRXWGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c6-4-1-5(2-7)8-3-4/h1-3H,6H2.
What are the key properties of 4-aminothiophene-2-carbaldehyde?
4-aminothiophene-2-carbaldehyde has a molecular weight of 127.17 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminothiophene-2-carbaldehyde is sourced from PubChem (CID 14913272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).