ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C38H34N2O7S — CID 126180364

About ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 126180364) has the molecular formula C38H34N2O7S and a molecular weight of 662.76 g/mol. Its IUPAC name is ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 126180364
• Molecular Formula: C38H34N2O7S
• Molecular Weight: 662.76 g/mol
• Exact Mass: 662.21
• IUPAC Name: ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC(C)C)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1
• InChI: InChI=1S/C38H34N2O7S/c1-6-45-37(43)32-33(24-11-8-7-9-12-24)39-38-40(34(32)26-16-15-23(4)30(20-26)44-5)35(41)31(48-38)21-28-17-18-29(47-28)25-13-10-14-27(19-25)36(42)46-22(2)3/h7-22,34H,6H2,1-5H3/b31-21+/t34-/m1/s1
• InChIKey: LEAONEDKJLOVER-DWLKXISJSA-N
• XLogP: 6.08
• TPSA: 109.33 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.76
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 126180364) is ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC(C)C)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1.

What is the InChIKey of ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is LEAONEDKJLOVER-DWLKXISJSA-N. The full InChI is InChI=1S/C38H34N2O7S/c1-6-45-37(43)32-33(24-11-8-7-9-12-24)39-38-40(34(32)26-16-15-23(4)30(20-26)44-5)35(41)31(48-38)21-28-17-18-29(47-28)25-13-10-14-27(19-25)36(42)46-22(2)3/h7-22,34H,6H2,1-5H3/b31-21+/t34-/m1/s1.

What are the key properties of ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 662.76 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,5R)-5-(3-methoxy-4-methylphenyl)-3-oxo-7-phenyl-2-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126180364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).