N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C26H23N5O2S — CID 55622726

About N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55622726) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 55622726
• Molecular Formula: C26H23N5O2S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.16
• IUPAC Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)CCc3nc(-c4cccnc4)no3)nc2c1
• InChI: InChI=1S/C26H23N5O2S/c1-17-13-18(2)24-21(14-17)28-26(34-24)31(16-19-7-4-3-5-8-19)23(32)11-10-22-29-25(30-33-22)20-9-6-12-27-15-20/h3-9,12-15H,10-11,16H2,1-2H3
• InChIKey: ATNKLKOSMSAFAN-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 85.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55622726) is N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)CCc3nc(-c4cccnc4)no3)nc2c1.

What is the InChIKey of N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is ATNKLKOSMSAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-17-13-18(2)24-21(14-17)28-26(34-24)31(16-19-7-4-3-5-8-19)23(32)11-10-22-29-25(30-33-22)20-9-6-12-27-15-20/h3-9,12-15H,10-11,16H2,1-2H3.

What are the key properties of N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 469.57 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55622726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).