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

C30H26ClN3O5S — CID 3376712

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

ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 3376712) has the molecular formula C30H26ClN3O5S and a molecular weight of 576.07 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 3376712
• Molecular Formula: C30H26ClN3O5S
• Molecular Weight: 576.07 g/mol
• Exact Mass: 575.13
• IUPAC Name: ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2C1c1ccc(Cl)cc1
• InChI: InChI=1S/C30H26ClN3O5S/c1-2-38-29(36)25-26(19-6-4-3-5-7-19)32-30-34(27(25)20-8-10-21(31)11-9-20)28(35)23(40-30)18-22-12-13-24(39-22)33-14-16-37-17-15-33/h3-13,18,27H,2,14-17H2,1H3
• InChIKey: HJVWBCRSHQJCSK-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 86.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.07
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 3376712) is ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2C1c1ccc(Cl)cc1.

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

The InChIKey is HJVWBCRSHQJCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN3O5S/c1-2-38-29(36)25-26(19-6-4-3-5-7-19)32-30-34(27(25)20-8-10-21(31)11-9-20)28(35)23(40-30)18-22-12-13-24(39-22)33-14-16-37-17-15-33/h3-13,18,27H,2,14-17H2,1H3.

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

ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 576.07 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-(4-chlorophenyl)-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3376712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).