2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide

C14H16N4O2S2 — CID 16869311

About 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 16869311) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 16869311
• Molecular Formula: C14H16N4O2S2
• Molecular Weight: 336.44 g/mol
• Exact Mass: 336.07
• IUPAC Name: 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CCc1c(C)nc2n(c1=O)C(CC(=O)Nc1nccs1)CS2
• InChI: InChI=1S/C14H16N4O2S2/c1-3-10-8(2)16-14-18(12(10)20)9(7-22-14)6-11(19)17-13-15-4-5-21-13/h4-5,9H,3,6-7H2,1-2H3,(H,15,17,19)
• InChIKey: YSOPXDOPDRNMGD-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.44
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 16869311) is 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is CCc1c(C)nc2n(c1=O)C(CC(=O)Nc1nccs1)CS2.

What is the InChIKey of 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is YSOPXDOPDRNMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-3-10-8(2)16-14-18(12(10)20)9(7-22-14)6-11(19)17-13-15-4-5-21-13/h4-5,9H,3,6-7H2,1-2H3,(H,15,17,19).

What are the key properties of 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?

2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16869311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).