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

C24H23FN2O6S — CID 3946911

IUPACethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)C=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1CC(=O)N1CCOCC1
InChIInChI=1S/C24H23FN2O6S/c1-2-32-23(29)14-22-27(15-21(28)26-9-11-31-12-10-26)24(30)20(34-22)13-18-7-8-19(33-18)16-3-5-17(25)6-4-16/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyXPDFJVRPJWJNLC-UHFFFAOYSA-N
MW486.52 g/mol
LogP1.34
Rot. Bonds6

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

ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 3946911) has the molecular formula C24H23FN2O6S and a molecular weight of 486.52 g/mol. Its IUPAC name is ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID3946911
Molecular FormulaC24H23FN2O6S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC Nameethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)C=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1CC(=O)N1CCOCC1
InChIInChI=1S/C24H23FN2O6S/c1-2-32-23(29)14-22-27(15-21(28)26-9-11-31-12-10-26)24(30)20(34-22)13-18-7-8-19(33-18)16-3-5-17(25)6-4-16/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyXPDFJVRPJWJNLC-UHFFFAOYSA-N
XLogP1.34
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 3946911) is ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)C=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1CC(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is XPDFJVRPJWJNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O6S/c1-2-32-23(29)14-22-27(15-21(28)26-9-11-31-12-10-26)24(30)20(34-22)13-18-7-8-19(33-18)16-3-5-17(25)6-4-16/h3-8,13-14H,2,9-12,15H2,1H3.
What are the key properties of ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 486.52 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 3946911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).