3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide

C19H21N3O3S — CID 90508473

About 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide (PubChem CID 90508473) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
• PubChem CID: 90508473
• Molecular Formula: C19H21N3O3S
• Molecular Weight: 371.46 g/mol
• Exact Mass: 371.13
• IUPAC Name: 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
• SMILES: COc1ccc(CCC(=O)NCCc2csc3nc(C)cc(=O)n23)cc1
• InChI: InChI=1S/C19H21N3O3S/c1-13-11-18(24)22-15(12-26-19(22)21-13)9-10-20-17(23)8-5-14-3-6-16(25-2)7-4-14/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,20,23)
• InChIKey: SVUMIDYXVYADBQ-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.46
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide (CID 90508473) is 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide.

What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide is COc1ccc(CCC(=O)NCCc2csc3nc(C)cc(=O)n23)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The InChIKey is SVUMIDYXVYADBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-11-18(24)22-15(12-26-19(22)21-13)9-10-20-17(23)8-5-14-3-6-16(25-2)7-4-14/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,20,23).

What are the key properties of 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 90508473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).