2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C30H26N2O8S — CID 4235258

About 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 4235258) has the molecular formula C30H26N2O8S and a molecular weight of 574.61 g/mol. Its IUPAC name is 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 4235258
• Molecular Formula: C30H26N2O8S
• Molecular Weight: 574.61 g/mol
• Exact Mass: 574.14
• IUPAC Name: 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COCCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC)c(=O)n2C1c1ccc(OC(=O)c2ccco2)cc1
• InChI: InChI=1S/C30H26N2O8S/c1-18-25(29(35)39-16-15-36-2)26(19-10-12-21(13-11-19)40-28(34)23-9-6-14-38-23)32-27(33)24(41-30(32)31-18)17-20-7-4-5-8-22(20)37-3/h4-14,17,26H,15-16H2,1-3H3
• InChIKey: AMVJMNNULBUUNO-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 118.56 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.61
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 4235258) is 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COCCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC)c(=O)n2C1c1ccc(OC(=O)c2ccco2)cc1.

What is the InChIKey of 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is AMVJMNNULBUUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O8S/c1-18-25(29(35)39-16-15-36-2)26(19-10-12-21(13-11-19)40-28(34)23-9-6-14-38-23)32-27(33)24(41-30(32)31-18)17-20-7-4-5-8-22(20)37-3/h4-14,17,26H,15-16H2,1-3H3.

What are the key properties of 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 574.61 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 4235258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).