ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H23IN2O5S — CID 6033537

About ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 6033537) has the molecular formula C24H23IN2O5S and a molecular weight of 578.43 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 6033537
• Molecular Formula: C24H23IN2O5S
• Molecular Weight: 578.43 g/mol
• Exact Mass: 578.04
• IUPAC Name: ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2C1c1ccccc1OC(C)C
• InChI: InChI=1S/C24H23IN2O5S/c1-5-30-23(29)20-14(4)26-24-27(21(20)16-8-6-7-9-17(16)31-13(2)3)22(28)18(33-24)12-15-10-11-19(25)32-15/h6-13,21H,5H2,1-4H3/b18-12-
• InChIKey: NXWIRIIAIOQQCQ-PDGQHHTCSA-N
• XLogP: 3.78
• TPSA: 83.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.43
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 6033537) is ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2C1c1ccccc1OC(C)C.

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

The InChIKey is NXWIRIIAIOQQCQ-PDGQHHTCSA-N. The full InChI is InChI=1S/C24H23IN2O5S/c1-5-30-23(29)20-14(4)26-24-27(21(20)16-8-6-7-9-17(16)31-13(2)3)22(28)18(33-24)12-15-10-11-19(25)32-15/h6-13,21H,5H2,1-4H3/b18-12-.

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

ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 578.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 6033537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).