N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide

C₁₉H₁₄N₄OS — CID 25023775

About N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide

N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide (PubChem CID 25023775) has the molecular formula C₁₉H₁₄N₄OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide
• PubChem CID: 25023775
• Molecular Formula: C₁₉H₁₄N₄OS
• Molecular Weight: 346.42 g/mol
• Exact Mass: 346.09
• IUPAC Name: N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide
• SMILES: Nc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12
• InChI: InChI=1S/C19H14N4OS/c20-17-16-15(10-25-19(16)22-11-21-17)12-6-8-14(9-7-12)23-18(24)13-4-2-1-3-5-13/h1-11H,(H,23,24)(H2,20,21,22)
• InChIKey: LEOUBHRICJROPC-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.42
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide?

The IUPAC name of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide (CID 25023775) is N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide.

What is the SMILES notation for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide?

The canonical SMILES for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide is Nc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12.

What is the InChIKey of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide?

The InChIKey is LEOUBHRICJROPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c20-17-16-15(10-25-19(16)22-11-21-17)12-6-8-14(9-7-12)23-18(24)13-4-2-1-3-5-13/h1-11H,(H,23,24)(H2,20,21,22).

What are the key properties of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide?

N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide has a molecular weight of 346.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide is sourced from PubChem (CID 25023775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25023775 — identifiers, structure, computed properties (public domain)

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