ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C32H33N3O6S — CID 1022149

About ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 1022149) has the molecular formula C32H33N3O6S and a molecular weight of 587.70 g/mol. Its IUPAC name is ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 1022149
• Molecular Formula: C32H33N3O6S
• Molecular Weight: 587.70 g/mol
• Exact Mass: 587.21
• IUPAC Name: ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(sc(=Cc3ccc(N4CCOCC4)o3)c2=O)=N1
• InChI: InChI=1S/C32H33N3O6S/c1-4-8-23-28(31(37)40-5-2)29(27-22-10-7-6-9-20(22)11-13-24(27)38-3)35-30(36)25(42-32(35)33-23)19-21-12-14-26(41-21)34-15-17-39-18-16-34/h6-7,9-14,19,29H,4-5,8,15-18H2,1-3H3/t29-/m1/s1
• InChIKey: ZWPQQAJYBKEBBY-GDLZYMKVSA-N
• XLogP: 4.17
• TPSA: 95.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.70
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 1022149) is ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(sc(=Cc3ccc(N4CCOCC4)o3)c2=O)=N1.

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

The InChIKey is ZWPQQAJYBKEBBY-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H33N3O6S/c1-4-8-23-28(31(37)40-5-2)29(27-22-10-7-6-9-20(22)11-13-24(27)38-3)35-30(36)25(42-32(35)33-23)19-21-12-14-26(41-21)34-15-17-39-18-16-34/h6-7,9-14,19,29H,4-5,8,15-18H2,1-3H3/t29-/m1/s1.

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

ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 587.70 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5R)-5-(2-methoxynaphthalen-1-yl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 1022149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).