ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C22H22N2O5S — CID 2530567

About ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2530567) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 2530567
• Molecular Formula: C22H22N2O5S
• Molecular Weight: 426.49 g/mol
• Exact Mass: 426.12
• IUPAC Name: ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C\c2ccc(C)cc2)c(=O)n1CC(=O)NCc1ccco1
• InChI: InChI=1S/C22H22N2O5S/c1-3-28-21(26)12-20-24(14-19(25)23-13-17-5-4-10-29-17)22(27)18(30-20)11-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3,(H,23,25)/b18-11-,20-12-
• InChIKey: UCWSAHOOLYRYJB-GUQQWVPNSA-N
• XLogP: 1.30
• TPSA: 90.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.49
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2530567) is ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2ccc(C)cc2)c(=O)n1CC(=O)NCc1ccco1.

What is the InChIKey of ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is UCWSAHOOLYRYJB-GUQQWVPNSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-3-28-21(26)12-20-24(14-19(25)23-13-17-5-4-10-29-17)22(27)18(30-20)11-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3,(H,23,25)/b18-11-,20-12-.

What are the key properties of ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 426.49 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2530567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).