propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C32H29BrN2O7S — CID 126119960

About propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 126119960) has the molecular formula C32H29BrN2O7S and a molecular weight of 665.56 g/mol. Its IUPAC name is propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 126119960
• Molecular Formula: C32H29BrN2O7S
• Molecular Weight: 665.56 g/mol
• Exact Mass: 664.09
• IUPAC Name: propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)o2)c(C)c1
• InChI: InChI=1S/C32H29BrN2O7S/c1-16(2)41-31(38)27-18(4)34-32-35(28(27)23-14-20(33)8-11-24(23)39-5)29(36)26(43-32)15-21-9-12-25(42-21)22-10-7-19(13-17(22)3)30(37)40-6/h7-16,28H,1-6H3/b26-15-/t28-/m1/s1
• InChIKey: IEIHZYPBADGKKQ-UPWSPCOFSA-N
• XLogP: 5.31
• TPSA: 109.33 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.56
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 126119960) is propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)o2)c(C)c1.

What is the InChIKey of propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is IEIHZYPBADGKKQ-UPWSPCOFSA-N. The full InChI is InChI=1S/C32H29BrN2O7S/c1-16(2)41-31(38)27-18(4)34-32-35(28(27)23-14-20(33)8-11-24(23)39-5)29(36)26(43-32)15-21-9-12-25(42-21)22-10-7-19(13-17(22)3)30(37)40-6/h7-16,28H,1-6H3/b26-15-/t28-/m1/s1.

What are the key properties of propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 665.56 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2Z,5R)-5-(5-bromo-2-methoxyphenyl)-2-[[5-(4-methoxycarbonyl-2-methylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126119960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).