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

C20H25N3O2S — CID 16868857

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

2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide (PubChem CID 16868857) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide
• PubChem CID: 16868857
• Molecular Formula: C20H25N3O2S
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.17
• IUPAC Name: 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide
• SMILES: CCc1ccccc1NC(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21
• InChI: InChI=1S/C20H25N3O2S/c1-5-13-8-6-7-9-15(13)21-17(24)10-14-12-26-19-22-16(20(2,3)4)11-18(25)23(14)19/h6-9,11,14H,5,10,12H2,1-4H3,(H,21,24)
• InChIKey: ICLVIZYAKUMWPX-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide (CID 16868857) is 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide.

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

The canonical SMILES for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21.

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

The InChIKey is ICLVIZYAKUMWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-5-13-8-6-7-9-15(13)21-17(24)10-14-12-26-19-22-16(20(2,3)4)11-18(25)23(14)19/h6-9,11,14H,5,10,12H2,1-4H3,(H,21,24).

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

2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 16868857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).