ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C33H32N2O8S — CID 6185553

About ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 6185553) has the molecular formula C33H32N2O8S and a molecular weight of 616.69 g/mol. Its IUPAC name is ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 6185553
• Molecular Formula: C33H32N2O8S
• Molecular Weight: 616.69 g/mol
• Exact Mass: 616.19
• IUPAC Name: ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccc(OC)c1OC
• InChI: InChI=1S/C33H32N2O8S/c1-7-43-32(37)26-27(20-12-9-8-10-13-20)34-33-35(28(26)21-14-11-15-22(38-2)29(21)41-5)31(36)25(44-33)18-19-16-23(39-3)30(42-6)24(17-19)40-4/h8-18,28H,7H2,1-6H3/b25-18-
• InChIKey: UTARTCIZXYBSOB-BWAHOGKJSA-N
• XLogP: 3.98
• TPSA: 106.81 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.69
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 6185553) is ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccc(OC)c1OC.

What is the InChIKey of ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is UTARTCIZXYBSOB-BWAHOGKJSA-N. The full InChI is InChI=1S/C33H32N2O8S/c1-7-43-32(37)26-27(20-12-9-8-10-13-20)34-33-35(28(26)21-14-11-15-22(38-2)29(21)41-5)31(36)25(44-33)18-19-16-23(39-3)30(42-6)24(17-19)40-4/h8-18,28H,7H2,1-6H3/b25-18-.

What are the key properties of ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 616.69 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 6185553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).