methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C19H22N2O5S — CID 27304843

About methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 27304843) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 27304843
• Molecular Formula: C19H22N2O5S
• Molecular Weight: 390.46 g/mol
• Exact Mass: 390.12
• IUPAC Name: methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3cc(OC)ccc3OC)N2C1=O
• InChI: InChI=1S/C19H22N2O5S/c1-6-14-17(22)21-16(12-9-11(24-3)7-8-13(12)25-4)15(18(23)26-5)10(2)20-19(21)27-14/h7-9,14,16H,6H2,1-5H3/t14-,16+/m1/s1
• InChIKey: XSFUZZRMMUUWCG-ZBFHGGJFSA-N
• XLogP: 2.92
• TPSA: 77.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.46
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 27304843) is methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3cc(OC)ccc3OC)N2C1=O.

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

The InChIKey is XSFUZZRMMUUWCG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-6-14-17(22)21-16(12-9-11(24-3)7-8-13(12)25-4)15(18(23)26-5)10(2)20-19(21)27-14/h7-9,14,16H,6H2,1-5H3/t14-,16+/m1/s1.

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

methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,5S)-5-(2,5-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 27304843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).