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

IUPACethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccc(C)cc2)c(=O)n1CC(=O)NCc1ccco1
InChIInChI=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-
InChIKeyUCWSAHOOLYRYJB-GUQQWVPNSA-N
MW426.49 g/mol
LogP1.30
Rot. Bonds7

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 Nameethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2530567
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Nameethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2ccc(C)cc2)c(=O)n1CC(=O)NCc1ccco1
InChIInChI=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-
InChIKeyUCWSAHOOLYRYJB-GUQQWVPNSA-N
XLogP1.30
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).