2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone

C19H23N5OS — CID 50750115

About 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone

2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 50750115) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone
• PubChem CID: 50750115
• Molecular Formula: C19H23N5OS
• Molecular Weight: 369.49 g/mol
• Exact Mass: 369.16
• IUPAC Name: 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone
• SMILES: Cc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)N1CCC(C)CC1
• InChI: InChI=1S/C19H23N5OS/c1-12-6-8-23(9-7-12)17(25)11-15-13(2)20-19-21-18(16-5-4-10-26-16)22-24(19)14(15)3/h4-5,10,12H,6-9,11H2,1-3H3
• InChIKey: UQDOCWAJRINTJS-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 63.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone?

The IUPAC name of 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 50750115) is 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone.

What is the SMILES notation for 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone?

The canonical SMILES for 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone is Cc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)N1CCC(C)CC1.

What is the InChIKey of 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone?

The InChIKey is UQDOCWAJRINTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-12-6-8-23(9-7-12)17(25)11-15-13(2)20-19-21-18(16-5-4-10-26-16)22-24(19)14(15)3/h4-5,10,12H,6-9,11H2,1-3H3.

What are the key properties of 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone?

2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 369.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 50750115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).