N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C21H17N5O2S — CID 24647580

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 24647580) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 24647580
• Molecular Formula: C21H17N5O2S
• Molecular Weight: 403.47 g/mol
• Exact Mass: 403.11
• IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)o1
• InChI: InChI=1S/C21H17N5O2S/c1-12-4-2-3-5-16(12)19-24-23-18(28-19)14-8-6-13(7-9-14)17(27)22-21-26-25-20(29-21)15-10-11-15/h2-9,15H,10-11H2,1H3,(H,22,26,27)
• InChIKey: AJNXLIZMIJQKAJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.47
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 24647580) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)o1.

What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is AJNXLIZMIJQKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-12-4-2-3-5-16(12)19-24-23-18(28-19)14-8-6-13(7-9-14)17(27)22-21-26-25-20(29-21)15-10-11-15/h2-9,15H,10-11H2,1H3,(H,22,26,27).

What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 403.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 24647580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).