ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C24H32N2O6S — CID 16555607

About ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 16555607) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 16555607
• Molecular Formula: C24H32N2O6S
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.20
• IUPAC Name: ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCCOc1cc(/C=c2\s/c(=C\C(=O)OCC)n(CC(=O)N(CC)CC)c2=O)ccc1OC
• InChI: InChI=1S/C24H32N2O6S/c1-6-12-32-19-13-17(10-11-18(19)30-5)14-20-24(29)26(16-21(27)25(7-2)8-3)22(33-20)15-23(28)31-9-4/h10-11,13-15H,6-9,12,16H2,1-5H3/b20-14-,22-15-
• InChIKey: HMKKRQYGUAPXCY-MVQASTMRSA-N
• XLogP: 1.75
• TPSA: 87.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 16555607) is ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

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

The canonical SMILES for ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCCOc1cc(/C=c2\s/c(=C\C(=O)OCC)n(CC(=O)N(CC)CC)c2=O)ccc1OC.

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

The InChIKey is HMKKRQYGUAPXCY-MVQASTMRSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-6-12-32-19-13-17(10-11-18(19)30-5)14-20-24(29)26(16-21(27)25(7-2)8-3)22(33-20)15-23(28)31-9-4/h10-11,13-15H,6-9,12,16H2,1-5H3/b20-14-,22-15-.

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

ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 476.60 g/mol, XLogP of 1.75, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 16555607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).