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

C27H28N2O7S — CID 19577966

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

ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 19577966) has the molecular formula C27H28N2O7S and a molecular weight of 524.60 g/mol. Its IUPAC name is ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 19577966
• Molecular Formula: C27H28N2O7S
• Molecular Weight: 524.60 g/mol
• Exact Mass: 524.16
• IUPAC Name: ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2C1c1ccccc1OC
• InChI: InChI=1S/C27H28N2O7S/c1-7-36-26(31)23-15(2)28-27-29(24(23)17-10-8-9-11-18(17)32-3)25(30)22(37-27)13-16-12-20(34-5)21(35-6)14-19(16)33-4/h8-14,24H,7H2,1-6H3/b22-13-
• InChIKey: FLTLDVAQRYNNMX-XKZIYDEJSA-N
• XLogP: 2.83
• TPSA: 97.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.60
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 19577966) is ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2C1c1ccccc1OC.

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

The InChIKey is FLTLDVAQRYNNMX-XKZIYDEJSA-N. The full InChI is InChI=1S/C27H28N2O7S/c1-7-36-26(31)23-15(2)28-27-29(24(23)17-10-8-9-11-18(17)32-3)25(30)22(37-27)13-16-12-20(34-5)21(35-6)14-19(16)33-4/h8-14,24H,7H2,1-6H3/b22-13-.

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

ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 524.60 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 19577966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).