4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde

C15H11NO2S — CID 141363512

IUPAC4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde
SMILESNc1c(-c2ccco2)sc(C=O)c1-c1ccccc1
InChIInChI=1S/C15H11NO2S/c16-14-13(10-5-2-1-3-6-10)12(9-17)19-15(14)11-7-4-8-18-11/h1-9H,16H2
InChIKeyRCEZGUDVIFYBRR-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.07
Rot. Bonds3

About 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde

4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde (PubChem CID 141363512) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde
PubChem CID141363512
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde
SMILESNc1c(-c2ccco2)sc(C=O)c1-c1ccccc1
InChIInChI=1S/C15H11NO2S/c16-14-13(10-5-2-1-3-6-10)12(9-17)19-15(14)11-7-4-8-18-11/h1-9H,16H2
InChIKeyRCEZGUDVIFYBRR-UHFFFAOYSA-N
XLogP4.07
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde?
The IUPAC name of 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde (CID 141363512) is 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde?
The canonical SMILES for 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde is Nc1c(-c2ccco2)sc(C=O)c1-c1ccccc1.
What is the InChIKey of 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde?
The InChIKey is RCEZGUDVIFYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c16-14-13(10-5-2-1-3-6-10)12(9-17)19-15(14)11-7-4-8-18-11/h1-9H,16H2.
What are the key properties of 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde?
4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde has a molecular weight of 269.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde is sourced from PubChem (CID 141363512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).