3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane

C24H41N3O3S — CID 143185737

IUPAC3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane
SMILESCCOc1c(C)nc2sc(C=O)c(N)c2c1C.CN1CCCCCC1.COC(C)(C)C
InChIInChI=1S/C12H14N2O2S.C7H15N.C5H12O/c1-4-16-11-6(2)9-10(13)8(5-15)17-12(9)14-7(11)3;1-8-6-4-2-3-5-7-8;1-5(2,3)6-4/h5H,4,13H2,1-3H3;2-7H2,1H3;1-4H3
InChIKeyOIHPXGWZNVGAGR-UHFFFAOYSA-N
MW451.68 g/mol
LogP5.63
Rot. Bonds3

About 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane

3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane (PubChem CID 143185737) has the molecular formula C24H41N3O3S and a molecular weight of 451.68 g/mol. Its IUPAC name is 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane.

Molecular Properties

Compound Name3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane
PubChem CID143185737
Molecular FormulaC24H41N3O3S
Molecular Weight451.68 g/mol
Exact Mass451.29
IUPAC Name3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane
SMILESCCOc1c(C)nc2sc(C=O)c(N)c2c1C.CN1CCCCCC1.COC(C)(C)C
InChIInChI=1S/C12H14N2O2S.C7H15N.C5H12O/c1-4-16-11-6(2)9-10(13)8(5-15)17-12(9)14-7(11)3;1-8-6-4-2-3-5-7-8;1-5(2,3)6-4/h5H,4,13H2,1-3H3;2-7H2,1H3;1-4H3
InChIKeyOIHPXGWZNVGAGR-UHFFFAOYSA-N
XLogP5.63
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde
CID 143185819
tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 45376604
3-amino-8-propyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbaldehyde
CID 166975756
tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate
CID 159793339
5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
CID 143295061
tert-butyl formate;ethane;methanamine;1-methylpiperidine
CID 143198708
3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine
CID 143064281
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 131297673
methoxymethane;1-methylpiperidine;propane
CID 143876527
methoxyethane;1-methylpyrrolidine
CID 90838943
2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 143295066
1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one
CID 103420620

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane?
The IUPAC name of 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane (CID 143185737) is 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane.
What is the SMILES notation for 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane?
The canonical SMILES for 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane is CCOc1c(C)nc2sc(C=O)c(N)c2c1C.CN1CCCCCC1.COC(C)(C)C.
What is the InChIKey of 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane?
The InChIKey is OIHPXGWZNVGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S.C7H15N.C5H12O/c1-4-16-11-6(2)9-10(13)8(5-15)17-12(9)14-7(11)3;1-8-6-4-2-3-5-7-8;1-5(2,3)6-4/h5H,4,13H2,1-3H3;2-7H2,1H3;1-4H3.
What are the key properties of 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane?
3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane has a molecular weight of 451.68 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane is sourced from PubChem (CID 143185737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).