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

C38H34N2O7S — CID 126122752

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

ethyl (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 126122752) has the molecular formula C38H34N2O7S and a molecular weight of 662.76 g/mol. Its IUPAC name is ethyl (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 126122752
• Molecular Formula: C38H34N2O7S
• Molecular Weight: 662.76 g/mol
• Exact Mass: 662.21
• IUPAC Name: ethyl (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C38H34N2O7S/c1-6-45-37(43)32-33(24-10-8-7-9-11-24)39-38-40(34(32)25-12-15-27(16-13-25)46-22(2)3)35(41)31(48-38)21-28-17-19-30(47-28)29-18-14-26(20-23(29)4)36(42)44-5/h7-22,34H,6H2,1-5H3/b31-21-/t34-/m1/s1
• InChIKey: KGUNOOVTJLFCPO-FUAQWRKOSA-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 (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 126122752) is ethyl (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1.

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

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

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

ethyl (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-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 (2Z,5R)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126122752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).