(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C18H20N4O3S — CID 58796280

About (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 58796280) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 58796280
• Molecular Formula: C18H20N4O3S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.13
• IUPAC Name: (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(CO)c2)c(=O)n1CC
• InChI: InChI=1S/C18H20N4O3S/c1-3-20-16(24)14(9-19)18-22(4-2)17(25)15(26-18)10-21-13-7-5-6-12(8-13)11-23/h5-8,10,21,23H,3-4,11H2,1-2H3,(H,20,24)/b15-10+,18-14-
• InChIKey: QMWXZTDZZYAFLJ-HXJVCGSMSA-N
• XLogP: 0.08
• TPSA: 107.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 58796280) is (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(CO)c2)c(=O)n1CC.

What is the InChIKey of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is QMWXZTDZZYAFLJ-HXJVCGSMSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-20-16(24)14(9-19)18-22(4-2)17(25)15(26-18)10-21-13-7-5-6-12(8-13)11-23/h5-8,10,21,23H,3-4,11H2,1-2H3,(H,20,24)/b15-10+,18-14-.

What are the key properties of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 372.45 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 58796280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).