(2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide

C14H13ClFN9O4S — CID 142341969

About (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide

(2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide (PubChem CID 142341969) has the molecular formula C14H13ClFN9O4S and a molecular weight of 457.84 g/mol. Its IUPAC name is (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide.

Molecular Properties

• Compound Name: (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide
• PubChem CID: 142341969
• Molecular Formula: C14H13ClFN9O4S
• Molecular Weight: 457.84 g/mol
• Exact Mass: 457.05
• IUPAC Name: (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide
• SMILES: N/N=C(\NN)C(=O)NCCSc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C14H13ClFN9O4S/c15-7-5-6(1-2-8(7)16)25-11(23-28-14(25)27)9-13(24-29-22-9)30-4-3-19-12(26)10(20-17)21-18/h1-2,5H,3-4,17-18H2,(H,19,26)(H,20,21)
• InChIKey: IAOYZPUBJBSUJR-UHFFFAOYSA-N
• XLogP: -0.39
• TPSA: 192.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.84
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide?

The IUPAC name of (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide (CID 142341969) is (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide.

What is the SMILES notation for (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide?

The canonical SMILES for (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide is N/N=C(\NN)C(=O)NCCSc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1.

What is the InChIKey of (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide?

The InChIKey is IAOYZPUBJBSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN9O4S/c15-7-5-6(1-2-8(7)16)25-11(23-28-14(25)27)9-13(24-29-22-9)30-4-3-19-12(26)10(20-17)21-18/h1-2,5H,3-4,17-18H2,(H,19,26)(H,20,21).

What are the key properties of (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide?

(2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide has a molecular weight of 457.84 g/mol, XLogP of -0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-N-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]-2-hydrazinyl-2-hydrazinylideneacetamide is sourced from PubChem (CID 142341969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).