1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide

C24H28N4O2S2 — CID 23473833

About 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide

1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide (PubChem CID 23473833) has the molecular formula C24H28N4O2S2 and a molecular weight of 468.65 g/mol. Its IUPAC name is 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide
• PubChem CID: 23473833
• Molecular Formula: C24H28N4O2S2
• Molecular Weight: 468.65 g/mol
• Exact Mass: 468.17
• IUPAC Name: 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide
• SMILES: Cc1cccc2cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12
• InChI: InChI=1S/C24H28N4O2S2/c1-14(2)13-28-23(30)19(32-24(28)31)12-18-11-17-6-4-5-15(3)20(17)26-22(18)27-9-7-16(8-10-27)21(25)29/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H2,25,29)/b19-12-
• InChIKey: FYXVJLCPASZLBG-UNOMPAQXSA-N
• XLogP: 4.10
• TPSA: 79.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.65
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide (CID 23473833) is 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide is Cc1cccc2cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12.

What is the InChIKey of 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide?

The InChIKey is FYXVJLCPASZLBG-UNOMPAQXSA-N. The full InChI is InChI=1S/C24H28N4O2S2/c1-14(2)13-28-23(30)19(32-24(28)31)12-18-11-17-6-4-5-15(3)20(17)26-22(18)27-9-7-16(8-10-27)21(25)29/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H2,25,29)/b19-12-.

What are the key properties of 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide?

1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 468.65 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 23473833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).