6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C30H25N3O3S — CID 3127309

About 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 3127309) has the molecular formula C30H25N3O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

• Compound Name: 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
• PubChem CID: 3127309
• Molecular Formula: C30H25N3O3S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.16
• IUPAC Name: 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
• SMILES: COc1ccc2ccccc2c1C1C(C(C)=O)=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc34)c(=O)n21
• InChI: InChI=1S/C30H25N3O3S/c1-16-22(21-11-7-8-12-23(21)31-16)15-25-29(35)33-28(26(18(3)34)17(2)32-30(33)37-25)27-20-10-6-5-9-19(20)13-14-24(27)36-4/h5-15,28,31H,1-4H3
• InChIKey: UMIKPCQVIXFVMH-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 76.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The IUPAC name of 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 3127309) is 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

What is the SMILES notation for 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The canonical SMILES for 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is COc1ccc2ccccc2c1C1C(C(C)=O)=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc34)c(=O)n21.

What is the InChIKey of 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The InChIKey is UMIKPCQVIXFVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3S/c1-16-22(21-11-7-8-12-23(21)31-16)15-25-29(35)33-28(26(18(3)34)17(2)32-30(33)37-25)27-20-10-6-5-9-19(20)13-14-24(27)36-4/h5-15,28,31H,1-4H3.

What are the key properties of 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 507.62 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 3127309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).