6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C18H21N5OS — CID 98385902

About 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 98385902) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• PubChem CID: 98385902
• Molecular Formula: C18H21N5OS
• Molecular Weight: 355.47 g/mol
• Exact Mass: 355.15
• IUPAC Name: 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• SMILES: COc1ccc(/C=C\c2nn3c(CN4CCCCC4)nnc3s2)cc1
• InChI: InChI=1S/C18H21N5OS/c1-24-15-8-5-14(6-9-15)7-10-17-21-23-16(19-20-18(23)25-17)13-22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3/b10-7-
• InChIKey: VGLJFIATRDITAR-YFHOEESVSA-N
• XLogP: 3.35
• TPSA: 55.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.47
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The IUPAC name of 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 98385902) is 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

What is the SMILES notation for 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The canonical SMILES for 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(/C=C\c2nn3c(CN4CCCCC4)nnc3s2)cc1.

What is the InChIKey of 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The InChIKey is VGLJFIATRDITAR-YFHOEESVSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-24-15-8-5-14(6-9-15)7-10-17-21-23-16(19-20-18(23)25-17)13-22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3/b10-7-.

What are the key properties of 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 355.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 98385902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).