N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide

C19H24N4O3S2 — CID 9159820

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide (PubChem CID 9159820) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide.

Molecular Properties

• Compound Name: N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide
• PubChem CID: 9159820
• Molecular Formula: C19H24N4O3S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.13
• IUPAC Name: N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide
• SMILES: O=C(CCCCN1C(=O)CSC1=S)NNC(=O)CN1CCCc2ccccc21
• InChI: InChI=1S/C19H24N4O3S2/c24-16(9-3-4-11-23-18(26)13-28-19(23)27)20-21-17(25)12-22-10-5-7-14-6-1-2-8-15(14)22/h1-2,6,8H,3-5,7,9-13H2,(H,20,24)(H,21,25)
• InChIKey: KFFWENXGIWSSGZ-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide?

The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide (CID 9159820) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide.

What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide?

The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide is O=C(CCCCN1C(=O)CSC1=S)NNC(=O)CN1CCCc2ccccc21.

What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide?

The InChIKey is KFFWENXGIWSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c24-16(9-3-4-11-23-18(26)13-28-19(23)27)20-21-17(25)12-22-10-5-7-14-6-1-2-8-15(14)22/h1-2,6,8H,3-5,7,9-13H2,(H,20,24)(H,21,25).

What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide?

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide has a molecular weight of 420.56 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide is sourced from PubChem (CID 9159820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).