N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C24H20N4O2S2 — CID 55536976

About N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55536976) has the molecular formula C24H20N4O2S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 55536976
• Molecular Formula: C24H20N4O2S2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.10
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: O=C(CCc1nnc(-c2ccsc2)o1)N(CCc1ccccc1)c1nc2ccccc2s1
• InChI: InChI=1S/C24H20N4O2S2/c29-22(11-10-21-26-27-23(30-21)18-13-15-31-16-18)28(14-12-17-6-2-1-3-7-17)24-25-19-8-4-5-9-20(19)32-24/h1-9,13,15-16H,10-12,14H2
• InChIKey: ODWWVDJQBIMFJA-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 72.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55536976) is N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)N(CCc1ccccc1)c1nc2ccccc2s1.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The InChIKey is ODWWVDJQBIMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S2/c29-22(11-10-21-26-27-23(30-21)18-13-15-31-16-18)28(14-12-17-6-2-1-3-7-17)24-25-19-8-4-5-9-20(19)32-24/h1-9,13,15-16H,10-12,14H2.

What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 460.58 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55536976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).