2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C23H32N8O2S — CID 59600532

About 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 59600532) has the molecular formula C23H32N8O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• PubChem CID: 59600532
• Molecular Formula: C23H32N8O2S
• Molecular Weight: 484.63 g/mol
• Exact Mass: 484.24
• IUPAC Name: 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• SMILES: Cc1cc(C)c(NC(O)c2cnc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)s2)c(C)c1
• InChI: InChI=1S/C23H32N8O2S/c1-14-11-15(2)19(16(3)12-14)27-20(33)18-13-24-23(34-18)29-21-25-17(4)26-22(28-21)31-7-5-30(6-8-31)9-10-32/h11-13,20,27,32-33H,5-10H2,1-4H3,(H,24,25,26,28,29)
• InChIKey: KMOYQOPSJPZVRD-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 122.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.63
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The IUPAC name of 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 59600532) is 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The canonical SMILES for 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1cc(C)c(NC(O)c2cnc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)s2)c(C)c1.

What is the InChIKey of 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The InChIKey is KMOYQOPSJPZVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2S/c1-14-11-15(2)19(16(3)12-14)27-20(33)18-13-24-23(34-18)29-21-25-17(4)26-22(28-21)31-7-5-30(6-8-31)9-10-32/h11-13,20,27,32-33H,5-10H2,1-4H3,(H,24,25,26,28,29).

What are the key properties of 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 484.63 g/mol, XLogP of 2.52, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59600532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).