ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate

C12H12N2O3S — CID 2747019

IUPACethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C(C)=O)ccc2c1N
InChIInChI=1S/C12H12N2O3S/c1-3-17-12(16)10-9(13)7-4-5-8(6(2)15)14-11(7)18-10/h4-5H,3,13H2,1-2H3
InChIKeyYUSVJLGKJRYGMF-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.26
Rot. Bonds3

About ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate

ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate (PubChem CID 2747019) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate
PubChem CID2747019
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Nameethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C(C)=O)ccc2c1N
InChIInChI=1S/C12H12N2O3S/c1-3-17-12(16)10-9(13)7-4-5-8(6(2)15)14-11(7)18-10/h4-5H,3,13H2,1-2H3
InChIKeyYUSVJLGKJRYGMF-UHFFFAOYSA-N
XLogP2.26
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate 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

ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891
ethyl 6-acetyl-3-amino-1-benzothiophene-2-carboxylate
CID 116646160
ethyl 3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 4294749
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150
ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 139231552
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057251
ethyl 3-amino-6,7-difluoro-1-benzothiophene-2-carboxylate
CID 116646152
phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057256
ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 23914236
ethyl 3-amino-6-oxidothieno[2,3-c]pyridin-6-ium-2-carboxylate
CID 176891775
ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate
CID 15514652

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate (CID 2747019) is ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(C(C)=O)ccc2c1N.
What is the InChIKey of ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is YUSVJLGKJRYGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-3-17-12(16)10-9(13)7-4-5-8(6(2)15)14-11(7)18-10/h4-5H,3,13H2,1-2H3.
What are the key properties of ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate?
ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2747019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).