2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C30H31N3O5S — CID 3963297

About 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 3963297) has the molecular formula C30H31N3O5S and a molecular weight of 545.66 g/mol. Its IUPAC name is 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 3963297
• Molecular Formula: C30H31N3O5S
• Molecular Weight: 545.66 g/mol
• Exact Mass: 545.20
• IUPAC Name: 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COCCOC(=O)C1=C(C)N=c2sc(=Cc3cn(C(C)C)c4ccccc34)c(=O)n2C1c1ccccc1OC
• InChI: InChI=1S/C30H31N3O5S/c1-18(2)32-17-20(21-10-6-8-12-23(21)32)16-25-28(34)33-27(22-11-7-9-13-24(22)37-5)26(19(3)31-30(33)39-25)29(35)38-15-14-36-4/h6-13,16-18,27H,14-15H2,1-5H3
• InChIKey: FWTCRCSXZQRBLL-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 84.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.66
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 3963297) is 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COCCOC(=O)C1=C(C)N=c2sc(=Cc3cn(C(C)C)c4ccccc34)c(=O)n2C1c1ccccc1OC.

What is the InChIKey of 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is FWTCRCSXZQRBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5S/c1-18(2)32-17-20(21-10-6-8-12-23(21)32)16-25-28(34)33-27(22-11-7-9-13-24(22)37-5)26(19(3)31-30(33)39-25)29(35)38-15-14-36-4/h6-13,16-18,27H,14-15H2,1-5H3.

What are the key properties of 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 545.66 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3963297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).