Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate

C₁₁H₁₂N₂O₃S — CID 155535717

About Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate

Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 155535717) has the molecular formula C₁₁H₁₂N₂O₃S and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate
• PubChem CID: 155535717
• Molecular Formula: C₁₁H₁₂N₂O₃S
• Molecular Weight: 252.29 g/mol
• Exact Mass: 252.06
• IUPAC Name: methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate
• SMILES: COC(=O)c1sc2nc(C)c(OC)cc2c1N
• InChI: InChI=1S/C11H12N2O3S/c1-5-7(15-2)4-6-8(12)9(11(14)16-3)17-10(6)13-5/h4H,12H2,1-3H3
• InChIKey: NJUDHXYYIVPHOK-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 74.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.29
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate?

The IUPAC name of Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 155535717) is methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate.

What is the SMILES notation for Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate?

The canonical SMILES for Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(C)c(OC)cc2c1N.

What is the InChIKey of Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate?

The InChIKey is NJUDHXYYIVPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-5-7(15-2)4-6-8(12)9(11(14)16-3)17-10(6)13-5/h4H,12H2,1-3H3.

What are the key properties of Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate?

Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 155535717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155535717 — identifiers, structure, computed properties (public domain)

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