ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate

C16H15N3O2S — CID 900067

IUPACethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
InChIInChI=1S/C16H15N3O2S/c1-2-21-16(20)14-13(17)12-11(8-9-18-15(12)22-14)19-10-6-4-3-5-7-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyYLLZNWQWKOMTFP-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.80
Rot. Bonds4

About ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate (PubChem CID 900067) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate
PubChem CID900067
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Nameethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
InChIInChI=1S/C16H15N3O2S/c1-2-21-16(20)14-13(17)12-11(8-9-18-15(12)22-14)19-10-6-4-3-5-7-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyYLLZNWQWKOMTFP-UHFFFAOYSA-N
XLogP3.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-amino-4-anilinothieno[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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate (CID 900067) is ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nccc(Nc3ccccc3)c2c1N.
What is the InChIKey of ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is YLLZNWQWKOMTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-21-16(20)14-13(17)12-11(8-9-18-15(12)22-14)19-10-6-4-3-5-7-10/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 900067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).