ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C32H36N2O8S — CID 3896982

About ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 3896982) has the molecular formula C32H36N2O8S and a molecular weight of 608.71 g/mol. Its IUPAC name is ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 3896982
• Molecular Formula: C32H36N2O8S
• Molecular Weight: 608.71 g/mol
• Exact Mass: 608.22
• IUPAC Name: ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)C(=O)OCC)cc3)c(=O)n2C1c1ccc(OC(C)C)c(OC)c1
• InChI: InChI=1S/C32H36N2O8S/c1-8-39-30(36)20(6)42-23-13-10-21(11-14-23)16-26-29(35)34-28(22-12-15-24(41-18(3)4)25(17-22)38-7)27(31(37)40-9-2)19(5)33-32(34)43-26/h10-18,20,28H,8-9H2,1-7H3
• InChIKey: WMHIPQRFNOWLSA-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 114.65 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.71
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 3896982) is ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)C(=O)OCC)cc3)c(=O)n2C1c1ccc(OC(C)C)c(OC)c1.

What is the InChIKey of ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is WMHIPQRFNOWLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O8S/c1-8-39-30(36)20(6)42-23-13-10-21(11-14-23)16-26-29(35)34-28(22-12-15-24(41-18(3)4)25(17-22)38-7)27(31(37)40-9-2)19(5)33-32(34)43-26/h10-18,20,28H,8-9H2,1-7H3.

What are the key properties of ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 608.71 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]methylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3896982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).