methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H24N2O5S2 — CID 2919544

About methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 2919544) has the molecular formula C24H24N2O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 2919544
• Molecular Formula: C24H24N2O5S2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.11
• IUPAC Name: methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCCOc1c(OC)cccc1C1C(C(=O)OC)=C(C)N=c2sc(=Cc3cccs3)c(=O)n21
• InChI: InChI=1S/C24H24N2O5S2/c1-5-11-31-21-16(9-6-10-17(21)29-3)20-19(23(28)30-4)14(2)25-24-26(20)22(27)18(33-24)13-15-8-7-12-32-15/h6-10,12-13,20H,5,11H2,1-4H3
• InChIKey: USVQNESAEIRHMI-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 79.12 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 2919544) is methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCCOc1c(OC)cccc1C1C(C(=O)OC)=C(C)N=c2sc(=Cc3cccs3)c(=O)n21.

What is the InChIKey of methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is USVQNESAEIRHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S2/c1-5-11-31-21-16(9-6-10-17(21)29-3)20-19(23(28)30-4)14(2)25-24-26(20)22(27)18(33-24)13-15-8-7-12-32-15/h6-10,12-13,20H,5,11H2,1-4H3.

What are the key properties of methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2919544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).