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

C23H25N7OS — CID 59600406

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

2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 59600406) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• PubChem CID: 59600406
• Molecular Formula: C23H25N7OS
• Molecular Weight: 447.57 g/mol
• Exact Mass: 447.18
• IUPAC Name: 2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• SMILES: Cc1nc(Nc2ncc(-c3cccc4ccccc34)s2)nc(N2CCN(CCO)CC2)n1
• InChI: InChI=1S/C23H25N7OS/c1-16-25-21(27-22(26-16)30-11-9-29(10-12-30)13-14-31)28-23-24-15-20(32-23)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,15,31H,9-14H2,1H3,(H,24,25,26,27,28)
• InChIKey: NQKYJWXYFXDURD-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 90.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.57
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 59600406) is 2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

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

The canonical SMILES for 2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ncc(-c3cccc4ccccc34)s2)nc(N2CCN(CCO)CC2)n1.

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

The InChIKey is NQKYJWXYFXDURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-16-25-21(27-22(26-16)30-11-9-29(10-12-30)13-14-31)28-23-24-15-20(32-23)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,15,31H,9-14H2,1H3,(H,24,25,26,27,28).

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

2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 447.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59600406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).