9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

C28H24N2O2S — CID 11259523

About 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (PubChem CID 11259523) has the molecular formula C28H24N2O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.

Molecular Properties

• Compound Name: 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
• PubChem CID: 11259523
• Molecular Formula: C28H24N2O2S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.16
• IUPAC Name: 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
• SMILES: Cc1ccc(-c2csc(NC(=O)C3(C)CC4C(=O)CC3c3ccccc34)n2)c2ccccc12
• InChI: InChI=1S/C28H24N2O2S/c1-16-11-12-21(18-8-4-3-7-17(16)18)24-15-33-27(29-24)30-26(32)28(2)14-22-19-9-5-6-10-20(19)23(28)13-25(22)31/h3-12,15,22-23H,13-14H2,1-2H3,(H,29,30,32)
• InChIKey: BRCUGYPZBOKBSP-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?

The IUPAC name of 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (CID 11259523) is 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.

What is the SMILES notation for 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?

The canonical SMILES for 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is Cc1ccc(-c2csc(NC(=O)C3(C)CC4C(=O)CC3c3ccccc34)n2)c2ccccc12.

What is the InChIKey of 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?

The InChIKey is BRCUGYPZBOKBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2S/c1-16-11-12-21(18-8-4-3-7-17(16)18)24-15-33-27(29-24)30-26(32)28(2)14-22-19-9-5-6-10-20(19)23(28)13-25(22)31/h3-12,15,22-23H,13-14H2,1-2H3,(H,29,30,32).

What are the key properties of 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?

9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is sourced from PubChem (CID 11259523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).