5-amino-3-ethylthiophene-2-carbaldehyde

C7H9NOS — CID 96589959

IUPAC5-amino-3-ethylthiophene-2-carbaldehyde
SMILESCCc1cc(N)sc1C=O
InChIInChI=1S/C7H9NOS/c1-2-5-3-7(8)10-6(5)4-9/h3-4H,2,8H2,1H3
InChIKeyUECADAHPKGUPPC-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.71
Rot. Bonds2

About 5-amino-3-ethylthiophene-2-carbaldehyde

5-amino-3-ethylthiophene-2-carbaldehyde (PubChem CID 96589959) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 5-amino-3-ethylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-amino-3-ethylthiophene-2-carbaldehyde
PubChem CID96589959
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name5-amino-3-ethylthiophene-2-carbaldehyde
SMILESCCc1cc(N)sc1C=O
InChIInChI=1S/C7H9NOS/c1-2-5-3-7(8)10-6(5)4-9/h3-4H,2,8H2,1H3
InChIKeyUECADAHPKGUPPC-UHFFFAOYSA-N
XLogP1.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethylthiophene-2-carbaldehyde
CID 139961983
2,6-diethylbenzene-1,4-diamine
CID 10154207
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214
5-butyl-3-methylthiophene-2-carbaldehyde
CID 118228968
2-amino-6-methyl-1-benzothiophene-5-carbaldehyde
CID 131218553
2-amino-7-ethyl-1-benzothiophen-4-ol
CID 130971743
ethyl 3-(5-bromo-2-formylthiophen-3-yl)-2,2-dimethylpropanoate
CID 143918560
2-amino-5-ethylpyridine-4-carbaldehyde
CID 91535649
5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine
CID 131169442
2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
ethyl 4,5-diformylthiophene-2-carboxylate
CID 122375809
3-ethyl-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131078285

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethylthiophene-2-carbaldehyde?
The IUPAC name of 5-amino-3-ethylthiophene-2-carbaldehyde (CID 96589959) is 5-amino-3-ethylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-amino-3-ethylthiophene-2-carbaldehyde?
The canonical SMILES for 5-amino-3-ethylthiophene-2-carbaldehyde is CCc1cc(N)sc1C=O.
What is the InChIKey of 5-amino-3-ethylthiophene-2-carbaldehyde?
The InChIKey is UECADAHPKGUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-5-3-7(8)10-6(5)4-9/h3-4H,2,8H2,1H3.
What are the key properties of 5-amino-3-ethylthiophene-2-carbaldehyde?
5-amino-3-ethylthiophene-2-carbaldehyde has a molecular weight of 155.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethylthiophene-2-carbaldehyde is sourced from PubChem (CID 96589959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).