3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

C22H26FN3O2S — CID 42745361

About 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745361) has the molecular formula C22H26FN3O2S and a molecular weight of 415.53 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
• PubChem CID: 42745361
• Molecular Formula: C22H26FN3O2S
• Molecular Weight: 415.53 g/mol
• Exact Mass: 415.17
• IUPAC Name: 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
• SMILES: CC(C)CC1SCC(C(=O)NCCc2ccccn2)N1C(=O)c1ccc(F)cc1
• InChI: InChI=1S/C22H26FN3O2S/c1-15(2)13-20-26(22(28)16-6-8-17(23)9-7-16)19(14-29-20)21(27)25-12-10-18-5-3-4-11-24-18/h3-9,11,15,19-20H,10,12-14H2,1-2H3,(H,25,27)
• InChIKey: MUXFXONDSPROEH-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.53
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?

The IUPAC name of 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42745361) is 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)NCCc2ccccn2)N1C(=O)c1ccc(F)cc1.

What is the InChIKey of 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?

The InChIKey is MUXFXONDSPROEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2S/c1-15(2)13-20-26(22(28)16-6-8-17(23)9-7-16)19(14-29-20)21(27)25-12-10-18-5-3-4-11-24-18/h3-9,11,15,19-20H,10,12-14H2,1-2H3,(H,25,27).

What are the key properties of 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?

3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).