(2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide

C18H11Cl2N3O2S — CID 6229473

IUPAC(2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
SMILESN#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/SCC(=O)N1c1ccccc1
InChIInChI=1S/C18H11Cl2N3O2S/c19-14-7-6-11(8-15(14)20)22-17(25)13(9-21)18-23(16(24)10-26-18)12-4-2-1-3-5-12/h1-8H,10H2,(H,22,25)/b18-13-
InChIKeyXMIWIITUEOUCQY-AQTBWJFISA-N
MW404.28 g/mol
LogP4.45
Rot. Bonds3

About (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide

(2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 6229473) has the molecular formula C18H11Cl2N3O2S and a molecular weight of 404.28 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID6229473
Molecular FormulaC18H11Cl2N3O2S
Molecular Weight404.28 g/mol
Exact Mass402.99
IUPAC Name(2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
SMILESN#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/SCC(=O)N1c1ccccc1
InChIInChI=1S/C18H11Cl2N3O2S/c19-14-7-6-11(8-15(14)20)22-17(25)13(9-21)18-23(16(24)10-26-18)12-4-2-1-3-5-12/h1-8H,10H2,(H,22,25)/b18-13-
InChIKeyXMIWIITUEOUCQY-AQTBWJFISA-N
XLogP4.45
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
CID 170995263
2-cyano-N-(3,4-dichlorophenyl)-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4977383
(2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
CID 18875363
N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4528380
(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 6141040
methyl 2-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
CID 123189501
(2E)-2-cyano-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
CID 139232350
(2Z)-2-cyano-2-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 18876006
N-(2-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4560928
methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate
CID 144675323
methyl 2-[3-(2-chloro-4-pyridinyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
CID 123817096
(1E)-1-[1-(cyanomethyl)-2-oxo-3-phenylimidazolidin-4-ylidene]-3-(3,4-dichlorophenyl)urea
CID 134069172

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide (CID 6229473) is (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide is N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/SCC(=O)N1c1ccccc1.
What is the InChIKey of (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is XMIWIITUEOUCQY-AQTBWJFISA-N. The full InChI is InChI=1S/C18H11Cl2N3O2S/c19-14-7-6-11(8-15(14)20)22-17(25)13(9-21)18-23(16(24)10-26-18)12-4-2-1-3-5-12/h1-8H,10H2,(H,22,25)/b18-13-.
What are the key properties of (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide?
(2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 404.28 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 6229473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).