2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C15H20N4O2S2 — CID 135442461

About 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 135442461) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 135442461
• Molecular Formula: C15H20N4O2S2
• Molecular Weight: 352.49 g/mol
• Exact Mass: 352.10
• IUPAC Name: 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: CCCc1nc(SCC(=O)Nc2ncc(C)s2)[nH]c(=O)c1CC
• InChI: InChI=1S/C15H20N4O2S2/c1-4-6-11-10(5-2)13(21)19-15(17-11)22-8-12(20)18-14-16-7-9(3)23-14/h7H,4-6,8H2,1-3H3,(H,16,18,20)(H,17,19,21)
• InChIKey: BBTPAPQAAGWJMC-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.49
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 135442461) is 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is CCCc1nc(SCC(=O)Nc2ncc(C)s2)[nH]c(=O)c1CC.

What is the InChIKey of 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is BBTPAPQAAGWJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-4-6-11-10(5-2)13(21)19-15(17-11)22-8-12(20)18-14-16-7-9(3)23-14/h7H,4-6,8H2,1-3H3,(H,16,18,20)(H,17,19,21).

What are the key properties of 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 352.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135442461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).