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

C28H31N3O6S — CID 3547418

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

ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 3547418) has the molecular formula C28H31N3O6S and a molecular weight of 537.64 g/mol. Its IUPAC name is ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 3547418
• Molecular Formula: C28H31N3O6S
• Molecular Weight: 537.64 g/mol
• Exact Mass: 537.19
• IUPAC Name: ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2C1c1ccccc1OC(C)C
• InChI: InChI=1S/C28H31N3O6S/c1-5-35-27(33)24-18(4)29-28-31(25(24)20-8-6-7-9-21(20)36-17(2)3)26(32)22(38-28)16-19-10-11-23(37-19)30-12-14-34-15-13-30/h6-11,16-17,25H,5,12-15H2,1-4H3
• InChIKey: MUSVFDFXDDAYOK-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 95.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.64
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 3547418) is ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2C1c1ccccc1OC(C)C.

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

The InChIKey is MUSVFDFXDDAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O6S/c1-5-35-27(33)24-18(4)29-28-31(25(24)20-8-6-7-9-21(20)36-17(2)3)26(32)22(38-28)16-19-10-11-23(37-19)30-12-14-34-15-13-30/h6-11,16-17,25H,5,12-15H2,1-4H3.

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

ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 537.64 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3547418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).