methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate

C15H13N3O2S — CID 50905128

IUPACmethyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccccc3N)cnc2c1N
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)14-12(17)13-11(21-14)6-8(7-18-13)9-4-2-3-5-10(9)16/h2-7H,16-17H2,1H3
InChIKeyRURIHABBHCMYSX-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.91
Rot. Bonds2

About methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50905128) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50905128
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Namemethyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccccc3N)cnc2c1N
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)14-12(17)13-11(21-14)6-8(7-18-13)9-4-2-3-5-10(9)16/h2-7H,16-17H2,1H3
InChIKeyRURIHABBHCMYSX-UHFFFAOYSA-N
XLogP2.91
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate (CID 50905128) is methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(-c3ccccc3N)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is RURIHABBHCMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-15(19)14-12(17)13-11(21-14)6-8(7-18-13)9-4-2-3-5-10(9)16/h2-7H,16-17H2,1H3.
What are the key properties of methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50905128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).