(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide

C25H17F2N3O4S — CID 2428574

IUPAC(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
SMILESN#C/C(C(=O)NCc1ccco1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C25H17F2N3O4S/c26-25(27)34-18-10-8-16(9-11-18)13-21-23(32)30(17-5-2-1-3-6-17)24(35-21)20(14-28)22(31)29-15-19-7-4-12-33-19/h1-13,25H,15H2,(H,29,31)/b21-13-,24-20-
InChIKeyLYICLHOIRNPYAM-GSZSMBBOSA-N
MW493.49 g/mol
LogP2.91
Rot. Bonds7

About (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide

(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (PubChem CID 2428574) has the molecular formula C25H17F2N3O4S and a molecular weight of 493.49 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
PubChem CID2428574
Molecular FormulaC25H17F2N3O4S
Molecular Weight493.49 g/mol
Exact Mass493.09
IUPAC Name(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
SMILESN#C/C(C(=O)NCc1ccco1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C25H17F2N3O4S/c26-25(27)34-18-10-8-16(9-11-18)13-21-23(32)30(17-5-2-1-3-6-17)24(35-21)20(14-28)22(31)29-15-19-7-4-12-33-19/h1-13,25H,15H2,(H,29,31)/b21-13-,24-20-
InChIKeyLYICLHOIRNPYAM-GSZSMBBOSA-N
XLogP2.91
TPSA97.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4598021
2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 5199296
4-[5-[[2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 4710033
2-cyano-N-(furan-2-ylmethyl)-2-[5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4709877
(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 6196713
(2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
CID 18807102
(2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 2028555
(2E)-N-benzyl-2-cyano-2-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 6345999
(2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
CID 41114877
(2Z)-2-cyano-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
CID 6368224
(2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide
CID 26568814
(2Z)-2-cyano-2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-octylacetamide
CID 2375425

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (CID 2428574) is (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1.
What is the InChIKey of (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LYICLHOIRNPYAM-GSZSMBBOSA-N. The full InChI is InChI=1S/C25H17F2N3O4S/c26-25(27)34-18-10-8-16(9-11-18)13-21-23(32)30(17-5-2-1-3-6-17)24(35-21)20(14-28)22(31)29-15-19-7-4-12-33-19/h1-13,25H,15H2,(H,29,31)/b21-13-,24-20-.
What are the key properties of (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 493.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2428574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).