3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide

C₁₂H₁₃N₃OS — CID 114619385

About 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114619385) has the molecular formula C₁₂H₁₃N₃OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 114619385
• Molecular Formula: C₁₂H₁₃N₃OS
• Molecular Weight: 247.32 g/mol
• Exact Mass: 247.08
• IUPAC Name: 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
• SMILES: C=C(C)CNC(=O)c1sc2cnccc2c1N
• InChI: InChI=1S/C12H13N3OS/c1-7(2)5-15-12(16)11-10(13)8-3-4-14-6-9(8)17-11/h3-4,6H,1,5,13H2,2H3,(H,15,16)
• InChIKey: SHRDIGNSLFZYRS-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.32
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide (CID 114619385) is 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide is C=C(C)CNC(=O)c1sc2cnccc2c1N.

What is the InChIKey of 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is SHRDIGNSLFZYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7(2)5-15-12(16)11-10(13)8-3-4-14-6-9(8)17-11/h3-4,6H,1,5,13H2,2H3,(H,15,16).

What are the key properties of 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide?

3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114619385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114619385 — identifiers, structure, computed properties (public domain)

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