4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide

C16H18FN3O3S2 — CID 9340752

About 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide

4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide (PubChem CID 9340752) has the molecular formula C16H18FN3O3S2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide.

Molecular Properties

• Compound Name: 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide
• PubChem CID: 9340752
• Molecular Formula: C16H18FN3O3S2
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.08
• IUPAC Name: 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide
• SMILES: O=C(CCCCCN1C(=O)CSC1=S)NNC(=O)c1ccc(F)cc1
• InChI: InChI=1S/C16H18FN3O3S2/c17-12-7-5-11(6-8-12)15(23)19-18-13(21)4-2-1-3-9-20-14(22)10-25-16(20)24/h5-8H,1-4,9-10H2,(H,18,21)(H,19,23)
• InChIKey: NRLMSHWQXGZDNX-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide?

The IUPAC name of 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide (CID 9340752) is 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide.

What is the SMILES notation for 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide?

The canonical SMILES for 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide is O=C(CCCCCN1C(=O)CSC1=S)NNC(=O)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide?

The InChIKey is NRLMSHWQXGZDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S2/c17-12-7-5-11(6-8-12)15(23)19-18-13(21)4-2-1-3-9-20-14(22)10-25-16(20)24/h5-8H,1-4,9-10H2,(H,18,21)(H,19,23).

What are the key properties of 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide?

4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide has a molecular weight of 383.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide is sourced from PubChem (CID 9340752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).