5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one

C27H27N5OS — CID 108773283

About 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one

5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one (PubChem CID 108773283) has the molecular formula C27H27N5OS and a molecular weight of 469.61 g/mol. Its IUPAC name is 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one.

Molecular Properties

• Compound Name: 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one
• PubChem CID: 108773283
• Molecular Formula: C27H27N5OS
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.19
• IUPAC Name: 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one
• SMILES: Cc1nc(C)c(Cc2ccccc2)c(Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)cs2)n1
• InChI: InChI=1S/C27H27N5OS/c1-16-20(13-18-9-7-6-8-10-18)24(29-17(2)28-16)31-26-30-22(15-34-26)19-11-12-23-21(14-19)27(3,4)25(33)32(23)5/h6-12,14-15H,13H2,1-5H3,(H,28,29,30,31)
• InChIKey: RTIJABFCRNAXDW-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one?

The IUPAC name of 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one (CID 108773283) is 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one.

What is the SMILES notation for 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one?

The canonical SMILES for 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one is Cc1nc(C)c(Cc2ccccc2)c(Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)cs2)n1.

What is the InChIKey of 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one?

The InChIKey is RTIJABFCRNAXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5OS/c1-16-20(13-18-9-7-6-8-10-18)24(29-17(2)28-16)31-26-30-22(15-34-26)19-11-12-23-21(14-19)27(3,4)25(33)32(23)5/h6-12,14-15H,13H2,1-5H3,(H,28,29,30,31).

What are the key properties of 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one?

5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one has a molecular weight of 469.61 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 108773283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).