N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide

C21H23ClN6O3S — CID 166183458

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 166183458) has the molecular formula C21H23ClN6O3S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 166183458
• Molecular Formula: C21H23ClN6O3S
• Molecular Weight: 474.97 g/mol
• Exact Mass: 474.12
• IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
• SMILES: CC(C)(C)c1nnc(NC(=O)C(=O)N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)s1
• InChI: InChI=1S/C21H23ClN6O3S/c1-21(2,3)19-25-26-20(32-19)24-16(29)18(30)28-10-4-5-13(11-28)17-23-15(27-31-17)12-6-8-14(22)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,24,26,29)
• InChIKey: HKZRYZNIULYJDJ-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 114.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.97
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (CID 166183458) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is CC(C)(C)c1nnc(NC(=O)C(=O)N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)s1.

What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The InChIKey is HKZRYZNIULYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O3S/c1-21(2,3)19-25-26-20(32-19)24-16(29)18(30)28-10-4-5-13(11-28)17-23-15(27-31-17)12-6-8-14(22)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,24,26,29).

What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 474.97 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166183458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).