4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde

C11H11NOS — CID 131030928

IUPAC4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
SMILESCCc1cc(C=O)c2sccc2c1N
InChIInChI=1S/C11H11NOS/c1-2-7-5-8(6-13)11-9(10(7)12)3-4-14-11/h3-6H,2,12H2,1H3
InChIKeyUWCHURQIRRYYNS-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.86
Rot. Bonds2

About 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde

4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde (PubChem CID 131030928) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
PubChem CID131030928
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
SMILESCCc1cc(C=O)c2sccc2c1N
InChIInChI=1S/C11H11NOS/c1-2-7-5-8(6-13)11-9(10(7)12)3-4-14-11/h3-6H,2,12H2,1H3
InChIKeyUWCHURQIRRYYNS-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.86
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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Related Compounds

5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130913439
7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde
CID 131196397
4-ethyl-7-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131196622
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
CID 130898262
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
CID 130956743
4-bromo-7-(bromomethyl)-1-benzothiophene-5-carbaldehyde
CID 130925488
6,7-difluoro-1-benzothiophene-4-carbaldehyde
CID 130961010
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430
7-bromo-6-ethyl-1-benzothiophen-4-amine
CID 131091615
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde (CID 131030928) is 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde is CCc1cc(C=O)c2sccc2c1N.
What is the InChIKey of 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde?
The InChIKey is UWCHURQIRRYYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-7-5-8(6-13)11-9(10(7)12)3-4-14-11/h3-6H,2,12H2,1H3.
What are the key properties of 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde?
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde has a molecular weight of 205.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 131030928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).