4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole

C52H36N6OS2 — CID 102430896

About 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole

4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 102430896) has the molecular formula C52H36N6OS2 and a molecular weight of 825.04 g/mol. Its IUPAC name is 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole
• PubChem CID: 102430896
• Molecular Formula: C52H36N6OS2
• Molecular Weight: 825.04 g/mol
• Exact Mass: 824.24
• IUPAC Name: 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole
• SMILES: Cc1cc(-c2cccc(-c3csc(-c4cccc(-c5ccccn5)n4)n3)c2)c(OCc2ccccc2)c(-c2cccc(-c3csc(-c4cccc(-c5ccccn5)n4)n3)c2)c1
• InChI: InChI=1S/C52H36N6OS2/c1-34-27-40(36-15-9-17-38(29-36)48-32-60-51(57-48)46-23-11-21-44(55-46)42-19-5-7-25-53-42)50(59-31-35-13-3-2-4-14-35)41(28-34)37-16-10-18-39(30-37)49-33-61-52(58-49)47-24-12-22-45(56-47)43-20-6-8-26-54-43/h2-30,32-33H,31H2,1H3
• InChIKey: JFPSITVGTFNFMY-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 86.57 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.04
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole?

The IUPAC name of 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole (CID 102430896) is 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole.

What is the SMILES notation for 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole?

The canonical SMILES for 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole is Cc1cc(-c2cccc(-c3csc(-c4cccc(-c5ccccn5)n4)n3)c2)c(OCc2ccccc2)c(-c2cccc(-c3csc(-c4cccc(-c5ccccn5)n4)n3)c2)c1.

What is the InChIKey of 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole?

The InChIKey is JFPSITVGTFNFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6OS2/c1-34-27-40(36-15-9-17-38(29-36)48-32-60-51(57-48)46-23-11-21-44(55-46)42-19-5-7-25-53-42)50(59-31-35-13-3-2-4-14-35)41(28-34)37-16-10-18-39(30-37)49-33-61-52(58-49)47-24-12-22-45(56-47)43-20-6-8-26-54-43/h2-30,32-33H,31H2,1H3.

What are the key properties of 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole?

4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 825.04 g/mol, XLogP of 13.40, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-methyl-2-phenylmethoxy-3-[3-[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]phenyl]phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 102430896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).