(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

C25H16Cl3N3O2S — CID 6141040

IUPAC(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
SMILESN#C/C(C(=O)Nc1cccc(Cl)c1)=C1/SC(Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C25H16Cl3N3O2S/c26-16-5-4-6-17(13-16)30-23(32)19(14-29)25-31(18-7-2-1-3-8-18)24(33)22(34-25)12-15-9-10-20(27)21(28)11-15/h1-11,13,22H,12H2,(H,30,32)/b25-19-
InChIKeyJBJMIZBJOBUGMB-PLRJNAJWSA-N
MW528.85 g/mol
LogP6.71
Rot. Bonds5

About (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 6141040) has the molecular formula C25H16Cl3N3O2S and a molecular weight of 528.85 g/mol. Its IUPAC name is (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID6141040
Molecular FormulaC25H16Cl3N3O2S
Molecular Weight528.85 g/mol
Exact Mass527.00
IUPAC Name(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
SMILESN#C/C(C(=O)Nc1cccc(Cl)c1)=C1/SC(Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C25H16Cl3N3O2S/c26-16-5-4-6-17(13-16)30-23(32)19(14-29)25-31(18-7-2-1-3-8-18)24(33)22(34-25)12-15-9-10-20(27)21(28)11-15/h1-11,13,22H,12H2,(H,30,32)/b25-19-
InChIKeyJBJMIZBJOBUGMB-PLRJNAJWSA-N
XLogP6.71
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.85
LogP ≤ 56.71
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 6141040) is (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/SC(Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1.
What is the InChIKey of (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is JBJMIZBJOBUGMB-PLRJNAJWSA-N. The full InChI is InChI=1S/C25H16Cl3N3O2S/c26-16-5-4-6-17(13-16)30-23(32)19(14-29)25-31(18-7-2-1-3-8-18)24(33)22(34-25)12-15-9-10-20(27)21(28)11-15/h1-11,13,22H,12H2,(H,30,32)/b25-19-.
What are the key properties of (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 528.85 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 6141040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).