2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide

C23H23N5OS — CID 8839379

About 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide (PubChem CID 8839379) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide
• PubChem CID: 8839379
• Molecular Formula: C23H23N5OS
• Molecular Weight: 417.54 g/mol
• Exact Mass: 417.16
• IUPAC Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide
• SMILES: CCc1ccccc1NC(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1
• InChI: InChI=1S/C23H23N5OS/c1-4-17-9-6-8-12-20(17)25-21(29)19-11-7-5-10-18(19)14-30-23-26-22-24-15(2)13-16(3)28(22)27-23/h5-13H,4,14H2,1-3H3,(H,25,29)
• InChIKey: GFNOJGZCPNPYGL-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.54
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide?

The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide (CID 8839379) is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide.

What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide?

The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1.

What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide?

The InChIKey is GFNOJGZCPNPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-4-17-9-6-8-12-20(17)25-21(29)19-11-7-5-10-18(19)14-30-23-26-22-24-15(2)13-16(3)28(22)27-23/h5-13H,4,14H2,1-3H3,(H,25,29).

What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide?

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide has a molecular weight of 417.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 8839379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).