ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C32H34N2O8S — CID 129443644

About ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 129443644) has the molecular formula C32H34N2O8S and a molecular weight of 606.70 g/mol. Its IUPAC name is ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 129443644
• Molecular Formula: C32H34N2O8S
• Molecular Weight: 606.70 g/mol
• Exact Mass: 606.20
• IUPAC Name: ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OCC(=O)OCC)cc4)c(=O)n32)cc1OCC
• InChI: InChI=1S/C32H34N2O8S/c1-6-16-41-24-15-12-22(18-25(24)38-7-2)29-28(31(37)40-9-4)20(5)33-32-34(29)30(36)26(43-32)17-21-10-13-23(14-11-21)42-19-27(35)39-8-3/h6,10-15,17-18,29H,1,7-9,16,19H2,2-5H3/t29-/m1/s1
• InChIKey: OUCZOYGTUYPHGA-GDLZYMKVSA-N
• XLogP: 3.70
• TPSA: 114.65 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.70
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 129443644) is ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OCC(=O)OCC)cc4)c(=O)n32)cc1OCC.

What is the InChIKey of ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is OUCZOYGTUYPHGA-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H34N2O8S/c1-6-16-41-24-15-12-22(18-25(24)38-7-2)29-28(31(37)40-9-4)20(5)33-32-34(29)30(36)26(43-32)17-21-10-13-23(14-11-21)42-19-27(35)39-8-3/h6,10-15,17-18,29H,1,7-9,16,19H2,2-5H3/t29-/m1/s1.

What are the key properties of ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 606.70 g/mol, XLogP of 3.70, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5R)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 129443644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).