ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate

C16H16N4O3S — CID 71207787

About ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate

ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 71207787) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 71207787
• Molecular Formula: C16H16N4O3S
• Molecular Weight: 344.40 g/mol
• Exact Mass: 344.09
• IUPAC Name: ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)C(C#N)=c1sc(=CNc2ccccn2)c(=O)n1CC
• InChI: InChI=1S/C16H16N4O3S/c1-3-20-14(21)12(10-19-13-7-5-6-8-18-13)24-15(20)11(9-17)16(22)23-4-2/h5-8,10H,3-4H2,1-2H3,(H,18,19)
• InChIKey: DMTURBVKSRGBGC-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 97.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.40
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate (CID 71207787) is ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)C(C#N)=c1sc(=CNc2ccccn2)c(=O)n1CC.

What is the InChIKey of ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is DMTURBVKSRGBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-3-20-14(21)12(10-19-13-7-5-6-8-18-13)24-15(20)11(9-17)16(22)23-4-2/h5-8,10H,3-4H2,1-2H3,(H,18,19).

What are the key properties of ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate?

ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 344.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-cyano-2-[3-ethyl-4-oxo-5-[(pyridin-2-ylamino)methylidene]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 71207787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).