ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H24N4O7S — CID 137065513

About ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 137065513) has the molecular formula C24H24N4O7S and a molecular weight of 512.54 g/mol. Its IUPAC name is ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 137065513
• Molecular Formula: C24H24N4O7S
• Molecular Weight: 512.54 g/mol
• Exact Mass: 512.14
• IUPAC Name: ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)[nH]c(=O)[nH]c3=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C
• InChI: InChI=1S/C24H24N4O7S/c1-5-34-22(32)17-12(4)25-24-28(18(17)13-8-6-7-9-15(13)35-11(2)3)21(31)16(36-24)10-14-19(29)26-23(33)27-20(14)30/h6-11,18H,5H2,1-4H3,(H3,26,27,29,30,33)/b16-10-/t18-/m1/s1
• InChIKey: KWMYSTSXFOSFCX-CFINBHSISA-N
• XLogP: 0.67
• TPSA: 155.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.54
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 137065513) is ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)[nH]c(=O)[nH]c3=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C.

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

The InChIKey is KWMYSTSXFOSFCX-CFINBHSISA-N. The full InChI is InChI=1S/C24H24N4O7S/c1-5-34-22(32)17-12(4)25-24-28(18(17)13-8-6-7-9-15(13)35-11(2)3)21(31)16(36-24)10-14-19(29)26-23(33)27-20(14)30/h6-11,18H,5H2,1-4H3,(H3,26,27,29,30,33)/b16-10-/t18-/m1/s1.

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

ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 512.54 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z,5R)-2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 137065513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).