2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium

C34H51ClN9O7S+ — CID 162466076

About 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium

2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium (PubChem CID 162466076) has the molecular formula C34H51ClN9O7S+ and a molecular weight of 765.36 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
• PubChem CID: 162466076
• Molecular Formula: C34H51ClN9O7S+
• Molecular Weight: 765.36 g/mol
• Exact Mass: 764.33
• IUPAC Name: 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
• SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)NCCOCCOCCOCCOCCOCC[NH3+])CC2)n1
• InChI: InChI=1S/C34H50ClN9O7S/c1-25-4-3-5-27(35)32(25)42-33(46)28-23-38-34(52-28)41-29-22-30(40-26(2)39-29)44-10-8-43(9-11-44)24-31(45)37-7-13-48-15-17-50-19-21-51-20-18-49-16-14-47-12-6-36/h3-5,22-23H,6-21,24,36H2,1-2H3,(H,37,45)(H,42,46)(H,38,39,40,41)/p+1
• InChIKey: IFSGSLGZQLMUPI-UHFFFAOYSA-O
• XLogP: 1.76
• TPSA: 189.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.36
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium?

The IUPAC name of 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium (CID 162466076) is 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)NCCOCCOCCOCCOCCOCC[NH3+])CC2)n1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium?

The InChIKey is IFSGSLGZQLMUPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H50ClN9O7S/c1-25-4-3-5-27(35)32(25)42-33(46)28-23-38-34(52-28)41-29-22-30(40-26(2)39-29)44-10-8-43(9-11-44)24-31(45)37-7-13-48-15-17-50-19-21-51-20-18-49-16-14-47-12-6-36/h3-5,22-23H,6-21,24,36H2,1-2H3,(H,37,45)(H,42,46)(H,38,39,40,41)/p+1.

What are the key properties of 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium?

2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium has a molecular weight of 765.36 g/mol, XLogP of 1.76, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium is sourced from PubChem (CID 162466076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).