N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C24H26N4O3S — CID 55531358

About N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55531358) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 55531358
• Molecular Formula: C24H26N4O3S
• Molecular Weight: 450.56 g/mol
• Exact Mass: 450.17
• IUPAC Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CCCc1noc(CCC(=O)N(Cc2ccccc2)c2nc3ccc(OCC)cc3s2)n1
• InChI: InChI=1S/C24H26N4O3S/c1-3-8-21-26-22(31-27-21)13-14-23(29)28(16-17-9-6-5-7-10-17)24-25-19-12-11-18(30-4-2)15-20(19)32-24/h5-7,9-12,15H,3-4,8,13-14,16H2,1-2H3
• InChIKey: SIQXLXWZVCGBRP-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 81.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.56
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 55531358) is N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)N(Cc2ccccc2)c2nc3ccc(OCC)cc3s2)n1.

What is the InChIKey of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is SIQXLXWZVCGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-3-8-21-26-22(31-27-21)13-14-23(29)28(16-17-9-6-5-7-10-17)24-25-19-12-11-18(30-4-2)15-20(19)32-24/h5-7,9-12,15H,3-4,8,13-14,16H2,1-2H3.

What are the key properties of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 450.56 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55531358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).