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

C25H16BrCl2N3O2S — CID 6222550

IUPAC(2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide
SMILESN#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/SC(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C25H16BrCl2N3O2S/c26-16-8-6-15(7-9-16)12-22-24(33)31(18-4-2-1-3-5-18)25(34-22)19(14-29)23(32)30-21-13-17(27)10-11-20(21)28/h1-11,13,22H,12H2,(H,30,32)/b25-19-
InChIKeyDSGZYDLXYYXXID-PLRJNAJWSA-N
MW573.30 g/mol
LogP6.82
Rot. Bonds5

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

(2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide (PubChem CID 6222550) has the molecular formula C25H16BrCl2N3O2S and a molecular weight of 573.30 g/mol. Its IUPAC name is (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide
PubChem CID6222550
Molecular FormulaC25H16BrCl2N3O2S
Molecular Weight573.30 g/mol
Exact Mass570.95
IUPAC Name(2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide
SMILESN#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/SC(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C25H16BrCl2N3O2S/c26-16-8-6-15(7-9-16)12-22-24(33)31(18-4-2-1-3-5-18)25(34-22)19(14-29)23(32)30-21-13-17(27)10-11-20(21)28/h1-11,13,22H,12H2,(H,30,32)/b25-19-
InChIKeyDSGZYDLXYYXXID-PLRJNAJWSA-N
XLogP6.82
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.30
LogP ≤ 56.82
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-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide (CID 6222550) is (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide is N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/SC(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is DSGZYDLXYYXXID-PLRJNAJWSA-N. The full InChI is InChI=1S/C25H16BrCl2N3O2S/c26-16-8-6-15(7-9-16)12-22-24(33)31(18-4-2-1-3-5-18)25(34-22)19(14-29)23(32)30-21-13-17(27)10-11-20(21)28/h1-11,13,22H,12H2,(H,30,32)/b25-19-.
What are the key properties of (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide?
(2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 573.30 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 6222550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).