3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide

C₁₃H₁₃N₃OS₂ — CID 106433595

About 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 106433595) has the molecular formula C₁₃H₁₃N₃OS₂ and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 106433595
• Molecular Formula: C₁₃H₁₃N₃OS₂
• Molecular Weight: 291.40 g/mol
• Exact Mass: 291.05
• IUPAC Name: 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
• SMILES: C#CCSCCNC(=O)c1sc2cnccc2c1N
• InChI: InChI=1S/C13H13N3OS2/c1-2-6-18-7-5-16-13(17)12-11(14)9-3-4-15-8-10(9)19-12/h1,3-4,8H,5-7,14H2,(H,16,17)
• InChIKey: DTFMIJRLFCMXCC-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.40
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide (CID 106433595) is 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide is C#CCSCCNC(=O)c1sc2cnccc2c1N.

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

The InChIKey is DTFMIJRLFCMXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-2-6-18-7-5-16-13(17)12-11(14)9-3-4-15-8-10(9)19-12/h1,3-4,8H,5-7,14H2,(H,16,17).

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

3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 106433595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106433595 — identifiers, structure, computed properties (public domain)

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