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

C34H30N2O6S — CID 46497792

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

ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(4-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 46497792) has the molecular formula C34H30N2O6S and a molecular weight of 594.69 g/mol. Its IUPAC name is ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(4-methoxynaphthalen-1-yl)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-[(4-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 46497792
• Molecular Formula: C34H30N2O6S
• Molecular Weight: 594.69 g/mol
• Exact Mass: 594.18
• IUPAC Name: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(4-methoxynaphthalen-1-yl)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\c3ccc(OC)c4ccccc34)c(=O)n2C1c1c(OC)ccc2ccc(OC)cc12
• InChI: InChI=1S/C34H30N2O6S/c1-6-42-33(38)29-19(2)35-34-36(31(29)30-25-18-22(39-3)14-11-20(25)12-16-27(30)41-5)32(37)28(43-34)17-21-13-15-26(40-4)24-10-8-7-9-23(21)24/h7-18,31H,6H2,1-5H3/b28-17-
• InChIKey: KUNMDHJWFPSIGE-QRQIAZFYSA-N
• XLogP: 5.13
• TPSA: 88.35 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.69
LogP ≤ 5	5.13
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-[(4-methoxynaphthalen-1-yl)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-[(4-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 46497792) is ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(4-methoxynaphthalen-1-yl)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-[(4-methoxynaphthalen-1-yl)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-[(4-methoxynaphthalen-1-yl)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\c3ccc(OC)c4ccccc34)c(=O)n2C1c1c(OC)ccc2ccc(OC)cc12.

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

The InChIKey is KUNMDHJWFPSIGE-QRQIAZFYSA-N. The full InChI is InChI=1S/C34H30N2O6S/c1-6-42-33(38)29-19(2)35-34-36(31(29)30-25-18-22(39-3)14-11-20(25)12-16-27(30)41-5)32(37)28(43-34)17-21-13-15-26(40-4)24-10-8-7-9-23(21)24/h7-18,31H,6H2,1-5H3/b28-17-.

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

ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-[(4-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 594.69 g/mol, XLogP of 5.13, 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-[(4-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 46497792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).