5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde

C10H9NO2S — CID 130840079

IUPAC5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde
SMILESCOc1cc2scc(C=O)c2cc1N
InChIInChI=1S/C10H9NO2S/c1-13-9-3-10-7(2-8(9)11)6(4-12)5-14-10/h2-5H,11H2,1H3
InChIKeyIKEGXJBHAIZYGG-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.30
Rot. Bonds2

About 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde

5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde (PubChem CID 130840079) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde
PubChem CID130840079
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde
SMILESCOc1cc2scc(C=O)c2cc1N
InChIInChI=1S/C10H9NO2S/c1-13-9-3-10-7(2-8(9)11)6(4-12)5-14-10/h2-5H,11H2,1H3
InChIKeyIKEGXJBHAIZYGG-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-iodo-1-benzothiophene-3-carbaldehyde
CID 130816591
3-ethyl-6-methoxy-1-benzothiophen-5-amine
CID 130788559
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
5-methoxy-4-sulfanyl-1-benzothiophene-3-carbaldehyde
CID 131150715
6-methyl-1-benzothiophene-3-carbaldehyde
CID 82374207
4-bromo-5-methoxy-1-benzothiophene-3-carbaldehyde
CID 130793746
4-amino-6-methyl-1-benzothiophene-3-carbaldehyde
CID 130820817
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine
CID 142041016
6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
CID 130941192
4-iodo-3-methoxy-1-benzothiophene-5-carbaldehyde
CID 131123421

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde (CID 130840079) is 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde is COc1cc2scc(C=O)c2cc1N.
What is the InChIKey of 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde?
The InChIKey is IKEGXJBHAIZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-13-9-3-10-7(2-8(9)11)6(4-12)5-14-10/h2-5H,11H2,1H3.
What are the key properties of 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde?
5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 130840079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).