2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide

C22H14F8N8O2S4 — CID 17325088

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide (PubChem CID 17325088) has the molecular formula C22H14F8N8O2S4 and a molecular weight of 702.66 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide
• PubChem CID: 17325088
• Molecular Formula: C22H14F8N8O2S4
• Molecular Weight: 702.66 g/mol
• Exact Mass: 702.00
• IUPAC Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide
• SMILES: Cc1nnc(SCC(=O)NNc2c(F)c(F)c(-c3c(F)c(F)c(NNC(=O)CSc4nnc(C)s4)c(F)c3F)c(F)c2F)s1
• InChI: InChI=1S/C22H14F8N8O2S4/c1-5-31-37-21(43-5)41-3-7(39)33-35-19-15(27)11(23)9(12(24)16(19)28)10-13(25)17(29)20(18(30)14(10)26)36-34-8(40)4-42-22-38-32-6(2)44-22/h35-36H,3-4H2,1-2H3,(H,33,39)(H,34,40)
• InChIKey: MYSXCTIFECWKMH-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 133.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	702.66
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide?

The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide (CID 17325088) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide.

What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide?

The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide is Cc1nnc(SCC(=O)NNc2c(F)c(F)c(-c3c(F)c(F)c(NNC(=O)CSc4nnc(C)s4)c(F)c3F)c(F)c2F)s1.

What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide?

The InChIKey is MYSXCTIFECWKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F8N8O2S4/c1-5-31-37-21(43-5)41-3-7(39)33-35-19-15(27)11(23)9(12(24)16(19)28)10-13(25)17(29)20(18(30)14(10)26)36-34-8(40)4-42-22-38-32-6(2)44-22/h35-36H,3-4H2,1-2H3,(H,33,39)(H,34,40).

What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide?

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide has a molecular weight of 702.66 g/mol, XLogP of 5.26, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide is sourced from PubChem (CID 17325088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).