ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C35H34N2O10S — CID 126047414

About ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 126047414) has the molecular formula C35H34N2O10S and a molecular weight of 674.73 g/mol. Its IUPAC name is ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 126047414
• Molecular Formula: C35H34N2O10S
• Molecular Weight: 674.73 g/mol
• Exact Mass: 674.19
• IUPAC Name: ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-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(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1
• InChI: InChI=1S/C35H34N2O10S/c1-6-43-27-17-22(12-14-26(27)46-19-29(38)42-5)31-30(34(41)45-8-3)20(4)36-35-37(31)32(39)28(48-35)18-24-13-15-25(47-24)21-10-9-11-23(16-21)33(40)44-7-2/h9-18,31H,6-8,19H2,1-5H3/b28-18+/t31-/m1/s1
• InChIKey: IWGMCFKXTZWAAZ-OXDPQRGISA-N
• XLogP: 4.19
• TPSA: 144.86 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.73
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 126047414) is ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-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(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1.

What is the InChIKey of ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is IWGMCFKXTZWAAZ-OXDPQRGISA-N. The full InChI is InChI=1S/C35H34N2O10S/c1-6-43-27-17-22(12-14-26(27)46-19-29(38)42-5)31-30(34(41)45-8-3)20(4)36-35-37(31)32(39)28(48-35)18-24-13-15-25(47-24)21-10-9-11-23(16-21)33(40)44-7-2/h9-18,31H,6-8,19H2,1-5H3/b28-18+/t31-/m1/s1.

What are the key properties of ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 674.73 g/mol, XLogP of 4.19, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,5R)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-5-[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126047414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).