N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C16H17N3O3S — CID 16868121

About N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868121) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
• PubChem CID: 16868121
• Molecular Formula: C16H17N3O3S
• Molecular Weight: 331.40 g/mol
• Exact Mass: 331.10
• IUPAC Name: N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
• SMILES: COc1ccc(NC(=O)CC2CSc3ncc(C)c(=O)n32)cc1
• InChI: InChI=1S/C16H17N3O3S/c1-10-8-17-16-19(15(10)21)12(9-23-16)7-14(20)18-11-3-5-13(22-2)6-4-11/h3-6,8,12H,7,9H2,1-2H3,(H,18,20)
• InChIKey: YXLAVIGFPKVCKM-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.40
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868121) is N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

What is the SMILES notation for N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The canonical SMILES for N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is COc1ccc(NC(=O)CC2CSc3ncc(C)c(=O)n32)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The InChIKey is YXLAVIGFPKVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-8-17-16-19(15(10)21)12(9-23-16)7-14(20)18-11-3-5-13(22-2)6-4-11/h3-6,8,12H,7,9H2,1-2H3,(H,18,20).

What are the key properties of N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).