(2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C19H19N3O4S — CID 89383380

About (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 89383380) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 89383380
• Molecular Formula: C19H19N3O4S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.11
• IUPAC Name: (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCNC(=O)/C(C#N)=c1\sc(=C=Cc2ccc(O)c(OC)c2)c(=O)n1CC
• InChI: InChI=1S/C19H19N3O4S/c1-4-21-17(24)13(11-20)19-22(5-2)18(25)16(27-19)9-7-12-6-8-14(23)15(10-12)26-3/h6-8,10,23H,4-5H2,1-3H3,(H,21,24)/b19-13-
• InChIKey: ZODGALAELVBBCN-UYRXBGFRSA-N
• XLogP: 0.55
• TPSA: 104.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 89383380) is (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)/C(C#N)=c1\sc(=C=Cc2ccc(O)c(OC)c2)c(=O)n1CC.

What is the InChIKey of (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is ZODGALAELVBBCN-UYRXBGFRSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-4-21-17(24)13(11-20)19-22(5-2)18(25)16(27-19)9-7-12-6-8-14(23)15(10-12)26-3/h6-8,10,23H,4-5H2,1-3H3,(H,21,24)/b19-13-.

What are the key properties of (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

(2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 385.45 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 89383380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).