2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C13H8FN5O4S2 — CID 3963884

About 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 3963884) has the molecular formula C13H8FN5O4S2 and a molecular weight of 381.37 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
• PubChem CID: 3963884
• Molecular Formula: C13H8FN5O4S2
• Molecular Weight: 381.37 g/mol
• Exact Mass: 381.00
• IUPAC Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ncc([N+](=O)[O-])s1
• InChI: InChI=1S/C13H8FN5O4S2/c14-8-3-1-7(2-4-8)11-17-18-13(23-11)24-6-9(20)16-12-15-5-10(25-12)19(21)22/h1-5H,6H2,(H,15,16,20)
• InChIKey: PTWYRMRQJVJUSE-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 124.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.37
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 3963884) is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ncc([N+](=O)[O-])s1.

What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?

The InChIKey is PTWYRMRQJVJUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5O4S2/c14-8-3-1-7(2-4-8)11-17-18-13(23-11)24-6-9(20)16-12-15-5-10(25-12)19(21)22/h1-5H,6H2,(H,15,16,20).

What are the key properties of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 381.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3963884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).