ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate

C19H19N3O3S — CID 171133227

IUPACethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2sc3nc(C)c(C)cc3c2N)c1
InChIInChI=1S/C19H19N3O3S/c1-4-25-19(24)12-6-5-7-13(9-12)22-17(23)16-15(20)14-8-10(2)11(3)21-18(14)26-16/h5-9H,4,20H2,1-3H3,(H,22,23)
InChIKeySTAGWMORUSCNHK-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.92
Rot. Bonds4

About ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate

ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate (PubChem CID 171133227) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
PubChem CID171133227
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Nameethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2sc3nc(C)c(C)cc3c2N)c1
InChIInChI=1S/C19H19N3O3S/c1-4-25-19(24)12-6-5-7-13(9-12)22-17(23)16-15(20)14-8-10(2)11(3)21-18(14)26-16/h5-9H,4,20H2,1-3H3,(H,22,23)
InChIKeySTAGWMORUSCNHK-UHFFFAOYSA-N
XLogP3.92
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate 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 3,6-diamino-2-[[3-(trifluoromethyl)phenyl]carbamoyl]thieno[2,3-b]pyridine-5-carboxylate
CID 4281067
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 143505135
ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate
CID 61117526
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162395187
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150
3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid
CID 21233452
3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 171133210
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate (CID 171133227) is ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2sc3nc(C)c(C)cc3c2N)c1.
What is the InChIKey of ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate?
The InChIKey is STAGWMORUSCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-4-25-19(24)12-6-5-7-13(9-12)22-17(23)16-15(20)14-8-10(2)11(3)21-18(14)26-16/h5-9H,4,20H2,1-3H3,(H,22,23).
What are the key properties of ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate?
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate has a molecular weight of 369.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 171133227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).