N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C20H23N3O3S — CID 16868880

About N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868880) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
• PubChem CID: 16868880
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
• SMILES: CC(=O)c1ccc(NC(=O)CC2CSc3nc(C(C)(C)C)cc(=O)n32)cc1
• InChI: InChI=1S/C20H23N3O3S/c1-12(24)13-5-7-14(8-6-13)21-17(25)9-15-11-27-19-22-16(20(2,3)4)10-18(26)23(15)19/h5-8,10,15H,9,11H2,1-4H3,(H,21,25)
• InChIKey: QEQOUZKSRZXWQF-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The IUPAC name of N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868880) is N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

What is the SMILES notation for N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The canonical SMILES for N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CC(=O)c1ccc(NC(=O)CC2CSc3nc(C(C)(C)C)cc(=O)n32)cc1.

What is the InChIKey of N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The InChIKey is QEQOUZKSRZXWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12(24)13-5-7-14(8-6-13)21-17(25)9-15-11-27-19-22-16(20(2,3)4)10-18(26)23(15)19/h5-8,10,15H,9,11H2,1-4H3,(H,21,25).

What are the key properties of N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).