propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C30H28N2O6S2 — CID 129442187

About propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 129442187) has the molecular formula C30H28N2O6S2 and a molecular weight of 576.70 g/mol. Its IUPAC name is propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 129442187
• Molecular Formula: C30H28N2O6S2
• Molecular Weight: 576.70 g/mol
• Exact Mass: 576.14
• IUPAC Name: propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5ccccc5)o4)c(=O)n32)c1
• InChI: InChI=1S/C30H28N2O6S2/c1-17(2)37-29(34)26-18(3)31-30-32(27(26)22-15-19(35-4)11-13-23(22)36-5)28(33)24(40-30)16-20-12-14-25(38-20)39-21-9-7-6-8-10-21/h6-17,27H,1-5H3/t27-/m1/s1
• InChIKey: FHYVHNGDNFBQPM-HHHXNRCGSA-N
• XLogP: 4.95
• TPSA: 92.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.70
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 129442187) is propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5ccccc5)o4)c(=O)n32)c1.

What is the InChIKey of propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is FHYVHNGDNFBQPM-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H28N2O6S2/c1-17(2)37-29(34)26-18(3)31-30-32(27(26)22-15-19(35-4)11-13-23(22)36-5)28(33)24(40-30)16-20-12-14-25(38-20)39-21-9-7-6-8-10-21/h6-17,27H,1-5H3/t27-/m1/s1.

What are the key properties of propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 576.70 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 129442187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).