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

C27H19N5O2S — CID 24608215

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

N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24608215) has the molecular formula C27H19N5O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
• PubChem CID: 24608215
• Molecular Formula: C27H19N5O2S
• Molecular Weight: 477.55 g/mol
• Exact Mass: 477.13
• IUPAC Name: N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
• SMILES: Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)n1
• InChI: InChI=1S/C27H19N5O2S/c1-16-23(20-9-5-6-10-21(20)28-16)22-15-35-27(29-22)30-24(33)17-11-13-19(14-12-17)26-32-31-25(34-26)18-7-3-2-4-8-18/h2-15,28H,1H3,(H,29,30,33)
• InChIKey: HXAHZHYJBZWNDV-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.55
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24608215) is N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

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

The canonical SMILES for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)n1.

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

The InChIKey is HXAHZHYJBZWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O2S/c1-16-23(20-9-5-6-10-21(20)28-16)22-15-35-27(29-22)30-24(33)17-11-13-19(14-12-17)26-32-31-25(34-26)18-7-3-2-4-8-18/h2-15,28H,1H3,(H,29,30,33).

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

N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 477.55 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24608215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).