3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid

C18H25N5O3S — CID 23400850

About 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 23400850) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
• PubChem CID: 23400850
• Molecular Formula: C18H25N5O3S
• Molecular Weight: 391.50 g/mol
• Exact Mass: 391.17
• IUPAC Name: 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
• SMILES: CCCc1cc(N2CCN(C(=O)[C@H](C)N)CC2)nc2sc(C(=O)O)c(N)c12
• InChI: InChI=1S/C18H25N5O3S/c1-3-4-11-9-12(21-16-13(11)14(20)15(27-16)18(25)26)22-5-7-23(8-6-22)17(24)10(2)19/h9-10H,3-8,19-20H2,1-2H3,(H,25,26)/t10-/m0/s1
• InChIKey: ZVEFDUREHKAQTM-JTQLQIEISA-N
• XLogP: 1.52
• TPSA: 125.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.50
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?

The IUPAC name of 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (CID 23400850) is 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.

What is the SMILES notation for 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?

The canonical SMILES for 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is CCCc1cc(N2CCN(C(=O)[C@H](C)N)CC2)nc2sc(C(=O)O)c(N)c12.

What is the InChIKey of 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?

The InChIKey is ZVEFDUREHKAQTM-JTQLQIEISA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-4-11-9-12(21-16-13(11)14(20)15(27-16)18(25)26)22-5-7-23(8-6-22)17(24)10(2)19/h9-10H,3-8,19-20H2,1-2H3,(H,25,26)/t10-/m0/s1.

What are the key properties of 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?

3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 391.50 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 23400850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).