2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide

C23H22N4O2S2 — CID 55530450

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 55530450) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
• PubChem CID: 55530450
• Molecular Formula: C23H22N4O2S2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.12
• IUPAC Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
• SMILES: Cc1nc(CSc2ccccc2C(=O)NCCc2ccc(-c3csc(C)n3)cc2)no1
• InChI: InChI=1S/C23H22N4O2S2/c1-15-25-22(27-29-15)14-31-21-6-4-3-5-19(21)23(28)24-12-11-17-7-9-18(10-8-17)20-13-30-16(2)26-20/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)
• InChIKey: HYXKODFFAIPVDM-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?

The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (CID 55530450) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.

What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?

The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is Cc1nc(CSc2ccccc2C(=O)NCCc2ccc(-c3csc(C)n3)cc2)no1.

What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?

The InChIKey is HYXKODFFAIPVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c1-15-25-22(27-29-15)14-31-21-6-4-3-5-19(21)23(28)24-12-11-17-7-9-18(10-8-17)20-13-30-16(2)26-20/h3-10,13H,11-12,14H2,1-2H3,(H,24,28).

What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 450.59 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 55530450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).