diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate

C19H18N2O5S — CID 15352379

IUPACdiethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1sc2c(c1N)=C(c1ccccc1)C(C(=O)OCC)C(=O)N=2
InChIInChI=1S/C19H18N2O5S/c1-3-25-18(23)13-11(10-8-6-5-7-9-10)12-14(20)15(19(24)26-4-2)27-17(12)21-16(13)22/h5-9,13H,3-4,20H2,1-2H3
InChIKeyPWGWUVGXJAKDMB-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.05
Rot. Bonds5

About diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate

diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate (PubChem CID 15352379) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate
PubChem CID15352379
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Namediethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1sc2c(c1N)=C(c1ccccc1)C(C(=O)OCC)C(=O)N=2
InChIInChI=1S/C19H18N2O5S/c1-3-25-18(23)13-11(10-8-6-5-7-9-10)12-14(20)15(19(24)26-4-2)27-17(12)21-16(13)22/h5-9,13H,3-4,20H2,1-2H3
InChIKeyPWGWUVGXJAKDMB-UHFFFAOYSA-N
XLogP1.05
TPSA108.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate 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-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate
CID 15352375
ethyl 4-oxo-2-phenyl-1,3-thiazole-5-carboxylate
CID 71610298
ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
CID 19064926
ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate
CID 63399043
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
ethyl 4-oxo-2,6-diphenyl-3H-pyridine-3-carboxylate
CID 70373641
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263
ethyl 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 981016
ethyl 4,7-dioxo-3-phenyl-1-benzothiophene-2-carboxylate
CID 11483776
2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906

Frequently Asked Questions

What is the IUPAC name of diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate?
The IUPAC name of diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate (CID 15352379) is diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate?
The canonical SMILES for diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate is CCOC(=O)c1sc2c(c1N)=C(c1ccccc1)C(C(=O)OCC)C(=O)N=2.
What is the InChIKey of diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate?
The InChIKey is PWGWUVGXJAKDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-3-25-18(23)13-11(10-8-6-5-7-9-10)12-14(20)15(19(24)26-4-2)27-17(12)21-16(13)22/h5-9,13H,3-4,20H2,1-2H3.
What are the key properties of diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate?
diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate has a molecular weight of 386.43 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate is sourced from PubChem (CID 15352379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).