N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide

C23H18IN3O2S — CID 7046110

IUPACN-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(N/N=C\c1cccc(I)c1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H18IN3O2S/c24-19-8-4-5-16(13-19)14-25-26-22(29)17-9-11-20(12-10-17)27-21(28)15-30-23(27)18-6-2-1-3-7-18/h1-14,23H,15H2,(H,26,29)/b25-14-/t23-/m1/s1
InChIKeyXUUWKYNYNBQDNX-ZXTKPNEHSA-N
MW527.39 g/mol
LogP4.83
Rot. Bonds5

About N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide

N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide (PubChem CID 7046110) has the molecular formula C23H18IN3O2S and a molecular weight of 527.39 g/mol. Its IUPAC name is N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide
PubChem CID7046110
Molecular FormulaC23H18IN3O2S
Molecular Weight527.39 g/mol
Exact Mass527.02
IUPAC NameN-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(N/N=C\c1cccc(I)c1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H18IN3O2S/c24-19-8-4-5-16(13-19)14-25-26-22(29)17-9-11-20(12-10-17)27-21(28)15-30-23(27)18-6-2-1-3-7-18/h1-14,23H,15H2,(H,26,29)/b25-14-/t23-/m1/s1
InChIKeyXUUWKYNYNBQDNX-ZXTKPNEHSA-N
XLogP4.83
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
CID 1379950
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 3494602
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 2857217
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide
CID 45124779
3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804066
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306202
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 40591599
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 98058410
N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide
CID 42807473

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide (CID 7046110) is N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide is O=C(N/N=C\c1cccc(I)c1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is XUUWKYNYNBQDNX-ZXTKPNEHSA-N. The full InChI is InChI=1S/C23H18IN3O2S/c24-19-8-4-5-16(13-19)14-25-26-22(29)17-9-11-20(12-10-17)27-21(28)15-30-23(27)18-6-2-1-3-7-18/h1-14,23H,15H2,(H,26,29)/b25-14-/t23-/m1/s1.
What are the key properties of N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide?
N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 527.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 7046110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).