1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone

C22H20N2OS — CID 102102055

About 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone

1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone (PubChem CID 102102055) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone
• PubChem CID: 102102055
• Molecular Formula: C22H20N2OS
• Molecular Weight: 360.48 g/mol
• Exact Mass: 360.13
• IUPAC Name: 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2C1c1ccc(C)cc1
• InChI: InChI=1S/C22H20N2OS/c1-14-9-11-18(12-10-14)21-20(16(3)25)15(2)23-22-24(21)19(13-26-22)17-7-5-4-6-8-17/h4-13,21H,1-3H3
• InChIKey: UISLTSCDSIVSEO-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 32.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.48
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone (CID 102102055) is 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone is CC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2C1c1ccc(C)cc1.

What is the InChIKey of 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone?

The InChIKey is UISLTSCDSIVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-14-9-11-18(12-10-14)21-20(16(3)25)15(2)23-22-24(21)19(13-26-22)17-7-5-4-6-8-17/h4-13,21H,1-3H3.

What are the key properties of 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone?

1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone has a molecular weight of 360.48 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-methyl-5-(4-methylphenyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 102102055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).