N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide

C23H27N5O2S — CID 3888507

About N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide

N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide (PubChem CID 3888507) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide
• PubChem CID: 3888507
• Molecular Formula: C23H27N5O2S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.19
• IUPAC Name: N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide
• SMILES: COc1ccccc1C(=O)NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1
• InChI: InChI=1S/C23H27N5O2S/c1-30-20-10-6-5-9-19(20)22(29)24-11-12-27-13-15-28(16-14-27)23-25-21(26-31-23)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,24,29)
• InChIKey: SAJFMZLJVAPBIK-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide?

The IUPAC name of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide (CID 3888507) is N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide.

What is the SMILES notation for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide?

The canonical SMILES for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1.

What is the InChIKey of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide?

The InChIKey is SAJFMZLJVAPBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-30-20-10-6-5-9-19(20)22(29)24-11-12-27-13-15-28(16-14-27)23-25-21(26-31-23)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,24,29).

What are the key properties of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide?

N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide has a molecular weight of 437.57 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 3888507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).