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

C30H28N2O6S — CID 46497789

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

ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 46497789) has the molecular formula C30H28N2O6S and a molecular weight of 544.63 g/mol. Its IUPAC name is ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 46497789
• Molecular Formula: C30H28N2O6S
• Molecular Weight: 544.63 g/mol
• Exact Mass: 544.17
• IUPAC Name: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2C1c1c(OC)ccc2ccc(OC)cc12
• InChI: InChI=1S/C30H28N2O6S/c1-6-38-29(34)25-17(2)31-30-32(28(33)24(39-30)15-19-9-7-8-10-22(19)36-4)27(25)26-21-16-20(35-3)13-11-18(21)12-14-23(26)37-5/h7-16,27H,6H2,1-5H3/b24-15-
• InChIKey: DEELYVKJCZSRKJ-IWIPYMOSSA-N
• XLogP: 3.98
• TPSA: 88.35 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.63
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 46497789) is ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2C1c1c(OC)ccc2ccc(OC)cc12.

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

The InChIKey is DEELYVKJCZSRKJ-IWIPYMOSSA-N. The full InChI is InChI=1S/C30H28N2O6S/c1-6-38-29(34)25-17(2)31-30-32(28(33)24(39-30)15-19-9-7-8-10-22(19)36-4)27(25)26-21-16-20(35-3)13-11-18(21)12-14-23(26)37-5/h7-16,27H,6H2,1-5H3/b24-15-.

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

ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 544.63 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 46497789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).