2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C23H21N5O2S2 — CID 5303485

About 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 5303485) has the molecular formula C23H21N5O2S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 5303485
• Molecular Formula: C23H21N5O2S2
• Molecular Weight: 463.59 g/mol
• Exact Mass: 463.11
• IUPAC Name: 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• SMILES: Nc1cc(=O)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1CCc1ccccc1
• InChI: InChI=1S/C23H21N5O2S2/c24-19-13-20(29)27-23(28(19)12-11-16-7-3-1-4-8-16)32-15-21(30)26-22-25-18(14-31-22)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15,24H2,(H,25,26,30)
• InChIKey: AVVWGKHKSQLQBV-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 102.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.59
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 5303485) is 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Nc1cc(=O)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1CCc1ccccc1.

What is the InChIKey of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is AVVWGKHKSQLQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S2/c24-19-13-20(29)27-23(28(19)12-11-16-7-3-1-4-8-16)32-15-21(30)26-22-25-18(14-31-22)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15,24H2,(H,25,26,30).

What are the key properties of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 463.59 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5303485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).