2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

C27H19Cl2N3O4S — CID 4710618

IUPAC2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
SMILESN#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n1-c1ccccc1
InChIInChI=1S/C27H19Cl2N3O4S/c28-17-6-8-22(29)20(14-17)23-9-7-19(36-23)15-24-26(34)32(18-4-2-1-3-5-18)27(37-24)21(16-30)25(33)31-10-12-35-13-11-31/h1-9,14-15H,10-13H2
InChIKeyQOYAYJYIEFYNMW-UHFFFAOYSA-N
MW552.44 g/mol
LogP3.83
Rot. Bonds4

About 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile (PubChem CID 4710618) has the molecular formula C27H19Cl2N3O4S and a molecular weight of 552.44 g/mol. Its IUPAC name is 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.

Molecular Properties

Compound Name2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
PubChem CID4710618
Molecular FormulaC27H19Cl2N3O4S
Molecular Weight552.44 g/mol
Exact Mass551.05
IUPAC Name2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
SMILESN#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n1-c1ccccc1
InChIInChI=1S/C27H19Cl2N3O4S/c28-17-6-8-22(29)20(14-17)23-9-7-19(36-23)15-24-26(34)32(18-4-2-1-3-5-18)27(37-24)21(16-30)25(33)31-10-12-35-13-11-31/h1-9,14-15H,10-13H2
InChIKeyQOYAYJYIEFYNMW-UHFFFAOYSA-N
XLogP3.83
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile with MolForge

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Related Compounds

(2Z)-2-[(5E)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 6196978
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 2021104
2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 5197765
2-[5-[(3-bromophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 3916649
2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 4311206
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3114589
(2Z)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6081085
(2Z)-3-oxo-2-[(5Z)-4-oxo-3-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile
CID 2420909
(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(9-ethylcarbazol-3-yl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 2428636
2-[3-(3-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 4877980
(2Z)-2-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 91896426
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
CID 126027052

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The IUPAC name of 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile (CID 4710618) is 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.
What is the SMILES notation for 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The canonical SMILES for 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The InChIKey is QOYAYJYIEFYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3O4S/c28-17-6-8-22(29)20(14-17)23-9-7-19(36-23)15-24-26(34)32(18-4-2-1-3-5-18)27(37-24)21(16-30)25(33)31-10-12-35-13-11-31/h1-9,14-15H,10-13H2.
What are the key properties of 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile has a molecular weight of 552.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is sourced from PubChem (CID 4710618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).