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

C20H18FNO3S2 — CID 92932117

IUPACethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C/c2sccc2C)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C20H18FNO3S2/c1-3-25-19(23)11-18-22(12-14-4-6-15(21)7-5-14)20(24)17(27-18)10-16-13(2)8-9-26-16/h4-11H,3,12H2,1-2H3/b17-10+,18-11-
InChIKeyZYUKGNZKSICWGN-VJTUXUFQSA-N
MW403.50 g/mol
LogP2.64
Rot. Bonds5

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

ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 92932117) has the molecular formula C20H18FNO3S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID92932117
Molecular FormulaC20H18FNO3S2
Molecular Weight403.50 g/mol
Exact Mass403.07
IUPAC Nameethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C/c2sccc2C)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C20H18FNO3S2/c1-3-25-19(23)11-18-22(12-14-4-6-15(21)7-5-14)20(24)17(27-18)10-16-13(2)8-9-26-16/h4-11H,3,12H2,1-2H3/b17-10+,18-11-
InChIKeyZYUKGNZKSICWGN-VJTUXUFQSA-N
XLogP2.64
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1231450
ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2564203
ethyl (2Z)-2-[3-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 8026649
(E)-N-ethyl-3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67510617
N-ethyl-3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67510620
(E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67510872
N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67510873
(E)-N-ethyl-3-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67512610
N-ethyl-3-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67512612
(5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1231449
ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
CID 2439567
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

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 92932117) is ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-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)n1Cc1ccc(F)cc1.
What is the InChIKey of ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is ZYUKGNZKSICWGN-VJTUXUFQSA-N. The full InChI is InChI=1S/C20H18FNO3S2/c1-3-25-19(23)11-18-22(12-14-4-6-15(21)7-5-14)20(24)17(27-18)10-16-13(2)8-9-26-16/h4-11H,3,12H2,1-2H3/b17-10+,18-11-.
What are the key properties of ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 403.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 92932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).