ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C22H21FN2O4S2 — CID 2496296

IUPACethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2sccc2C)c(=O)n1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O4S2/c1-3-29-21(27)11-20-25(13-19(26)24-12-15-4-6-16(23)7-5-15)22(28)18(31-20)10-17-14(2)8-9-30-17/h4-11H,3,12-13H2,1-2H3,(H,24,26)/b18-10-,20-11-
InChIKeyWCCSVYFYHTZNHQ-GSUVBEQCSA-N
MW460.55 g/mol
LogP1.91
Rot. Bonds7

About ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2496296) has the molecular formula C22H21FN2O4S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2496296
Molecular FormulaC22H21FN2O4S2
Molecular Weight460.55 g/mol
Exact Mass460.09
IUPAC Nameethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2sccc2C)c(=O)n1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O4S2/c1-3-29-21(27)11-20-25(13-19(26)24-12-15-4-6-16(23)7-5-15)22(28)18(31-20)10-17-14(2)8-9-30-17/h4-11H,3,12-13H2,1-2H3,(H,24,26)/b18-10-,20-11-
InChIKeyWCCSVYFYHTZNHQ-GSUVBEQCSA-N
XLogP1.91
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2496296) is ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2sccc2C)c(=O)n1CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is WCCSVYFYHTZNHQ-GSUVBEQCSA-N. The full InChI is InChI=1S/C22H21FN2O4S2/c1-3-29-21(27)11-20-25(13-19(26)24-12-15-4-6-16(23)7-5-15)22(28)18(31-20)10-17-14(2)8-9-30-17/h4-11H,3,12-13H2,1-2H3,(H,24,26)/b18-10-,20-11-.
What are the key properties of ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[(5Z)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 460.55 g/mol, XLogP of 1.91, 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-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2496296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).