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

C25H15Cl4N3O2S — CID 6231107

IUPAC(2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
SMILESN#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/SC(Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1
InChIInChI=1S/C25H15Cl4N3O2S/c26-15-6-8-19(28)14(10-15)11-22-24(34)32(17-4-2-1-3-5-17)25(35-22)18(13-30)23(33)31-21-12-16(27)7-9-20(21)29/h1-10,12,22H,11H2,(H,31,33)/b25-18-
InChIKeyCQBJGBBFDILHSD-BWAHOGKJSA-N
MW563.29 g/mol
LogP7.37
Rot. Bonds5

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

(2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 6231107) has the molecular formula C25H15Cl4N3O2S and a molecular weight of 563.29 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID6231107
Molecular FormulaC25H15Cl4N3O2S
Molecular Weight563.29 g/mol
Exact Mass560.96
IUPAC Name(2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
SMILESN#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/SC(Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1
InChIInChI=1S/C25H15Cl4N3O2S/c26-15-6-8-19(28)14(10-15)11-22-24(34)32(17-4-2-1-3-5-17)25(35-22)18(13-30)23(33)31-21-12-16(27)7-9-20(21)29/h1-10,12,22H,11H2,(H,31,33)/b25-18-
InChIKeyCQBJGBBFDILHSD-BWAHOGKJSA-N
XLogP7.37
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.29
LogP ≤ 57.37
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)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 6231107) is (2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/SC(Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1.
What is the InChIKey of (2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is CQBJGBBFDILHSD-BWAHOGKJSA-N. The full InChI is InChI=1S/C25H15Cl4N3O2S/c26-15-6-8-19(28)14(10-15)11-22-24(34)32(17-4-2-1-3-5-17)25(35-22)18(13-30)23(33)31-21-12-16(27)7-9-20(21)29/h1-10,12,22H,11H2,(H,31,33)/b25-18-.
What are the key properties of (2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 563.29 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 6231107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).