ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C34H28N2O5S — CID 129443251

About ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 129443251) has the molecular formula C34H28N2O5S and a molecular weight of 576.67 g/mol. Its IUPAC name is ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 129443251
• Molecular Formula: C34H28N2O5S
• Molecular Weight: 576.67 g/mol
• Exact Mass: 576.17
• IUPAC Name: ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12
• InChI: InChI=1S/C34H28N2O5S/c1-4-41-33(38)29-30(23-13-6-5-7-14-23)35-34-36(32(37)27(42-34)20-21-11-10-15-24(19-21)39-2)31(29)28-25-16-9-8-12-22(25)17-18-26(28)40-3/h5-20,31H,4H2,1-3H3/t31-/m1/s1
• InChIKey: MADMVVQFUZVUIG-WJOKGBTCSA-N
• XLogP: 5.11
• TPSA: 79.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.67
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 129443251) is ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12.

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

The InChIKey is MADMVVQFUZVUIG-WJOKGBTCSA-N. The full InChI is InChI=1S/C34H28N2O5S/c1-4-41-33(38)29-30(23-13-6-5-7-14-23)35-34-36(32(37)27(42-34)20-21-11-10-15-24(19-21)39-2)31(29)28-25-16-9-8-12-22(25)17-18-26(28)40-3/h5-20,31H,4H2,1-3H3/t31-/m1/s1.

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

ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 576.67 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 129443251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).