ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C18H20N2O4S — CID 2695337

About ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2695337) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 2695337
• Molecular Formula: C18H20N2O4S
• Molecular Weight: 360.44 g/mol
• Exact Mass: 360.11
• IUPAC Name: ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C18H20N2O4S/c1-2-24-18(23)9-17-20(16(22)11-25-17)10-15(21)19-14-7-6-12-4-3-5-13(12)8-14/h6-9H,2-5,10-11H2,1H3,(H,19,21)/b17-9+
• InChIKey: CZXKABZGZBYGHS-RQZCQDPDSA-N
• XLogP: 2.09
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.44
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2695337) is ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1ccc2c(c1)CCC2.

What is the InChIKey of ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is CZXKABZGZBYGHS-RQZCQDPDSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-24-18(23)9-17-20(16(22)11-25-17)10-15(21)19-14-7-6-12-4-3-5-13(12)8-14/h6-9H,2-5,10-11H2,1H3,(H,19,21)/b17-9+.

What are the key properties of ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 360.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2695337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).