ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate

C23H27N5O4S — CID 58623943

About ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate (PubChem CID 58623943) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate
• PubChem CID: 58623943
• Molecular Formula: C23H27N5O4S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.18
• IUPAC Name: ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate
• SMILES: CCOC(=O)N1CCC(NC(=O)/C(C#N)=c2\s/c(=C/Nc3ccccc3)c(=O)n2CC)CC1
• InChI: InChI=1S/C23H27N5O4S/c1-3-28-21(30)19(15-25-16-8-6-5-7-9-16)33-22(28)18(14-24)20(29)26-17-10-12-27(13-11-17)23(31)32-4-2/h5-9,15,17,25H,3-4,10-13H2,1-2H3,(H,26,29)/b19-15+,22-18-
• InChIKey: FOWYCWXJWGUQCD-QTAZYSQYSA-N
• XLogP: 1.19
• TPSA: 116.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate?

The IUPAC name of ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate (CID 58623943) is ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate.

What is the SMILES notation for ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate?

The canonical SMILES for ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)/C(C#N)=c2\s/c(=C/Nc3ccccc3)c(=O)n2CC)CC1.

What is the InChIKey of ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate?

The InChIKey is FOWYCWXJWGUQCD-QTAZYSQYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-3-28-21(30)19(15-25-16-8-6-5-7-9-16)33-22(28)18(14-24)20(29)26-17-10-12-27(13-11-17)23(31)32-4-2/h5-9,15,17,25H,3-4,10-13H2,1-2H3,(H,26,29)/b19-15+,22-18-.

What are the key properties of ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate?

ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate has a molecular weight of 469.57 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 58623943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).