ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate

C22H24F2N2O6S — CID 6389517

IUPACethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1CC(=O)NCC1CCCO1
InChIInChI=1S/C22H24F2N2O6S/c1-2-30-20(28)11-19-26(13-18(27)25-12-16-4-3-9-31-16)21(29)17(33-19)10-14-5-7-15(8-6-14)32-22(23)24/h5-8,10-11,16,22H,2-4,9,12-13H2,1H3,(H,25,27)/b17-10+,19-11-
InChIKeyGADNRFMTHONCNU-VAAIZWELSA-N
MW482.51 g/mol
LogP0.98
Rot. Bonds9

About ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 6389517) has the molecular formula C22H24F2N2O6S and a molecular weight of 482.51 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
PubChem CID6389517
Molecular FormulaC22H24F2N2O6S
Molecular Weight482.51 g/mol
Exact Mass482.13
IUPAC Nameethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1CC(=O)NCC1CCCO1
InChIInChI=1S/C22H24F2N2O6S/c1-2-30-20(28)11-19-26(13-18(27)25-12-16-4-3-9-31-16)21(29)17(33-19)10-14-5-7-15(8-6-14)32-22(23)24/h5-8,10-11,16,22H,2-4,9,12-13H2,1H3,(H,25,27)/b17-10+,19-11-
InChIKeyGADNRFMTHONCNU-VAAIZWELSA-N
XLogP0.98
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate (CID 6389517) is ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1CC(=O)NCC1CCCO1.
What is the InChIKey of ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is GADNRFMTHONCNU-VAAIZWELSA-N. The full InChI is InChI=1S/C22H24F2N2O6S/c1-2-30-20(28)11-19-26(13-18(27)25-12-16-4-3-9-31-16)21(29)17(33-19)10-14-5-7-15(8-6-14)32-22(23)24/h5-8,10-11,16,22H,2-4,9,12-13H2,1H3,(H,25,27)/b17-10+,19-11-.
What are the key properties of ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 482.51 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 6389517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).