N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C19H23BrN4O2S — CID 136914461

IUPACN-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)C1CCCCC1
InChIInChI=1S/C19H23BrN4O2S/c1-12(13-5-3-2-4-6-13)23-24-19-22-18(26)16(27-19)11-17(25)21-15-9-7-14(20)8-10-15/h7-10,13,16H,2-6,11H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyNUCZQLXLTNVIID-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.32
Rot. Bonds5

About N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 136914461) has the molecular formula C19H23BrN4O2S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID136914461
Molecular FormulaC19H23BrN4O2S
Molecular Weight451.39 g/mol
Exact Mass450.07
IUPAC NameN-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)C1CCCCC1
InChIInChI=1S/C19H23BrN4O2S/c1-12(13-5-3-2-4-6-13)23-24-19-22-18(26)16(27-19)11-17(25)21-15-9-7-14(20)8-10-15/h7-10,13,16H,2-6,11H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyNUCZQLXLTNVIID-UHFFFAOYSA-N
XLogP4.32
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[(2E,5S)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135572163
N-(4-chlorophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135408871
N-(4-bromophenyl)-2-[(2E,5S)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136671598
N-(5-chloro-2-methylphenyl)-2-[(2E,5S)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135572162
N-(5-chloro-2-methylphenyl)-2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135488466
2-[(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 135408371
2-[(2E,5R)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 135659651
2-[(2E,5S)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 135725374
N-(4-acetylphenyl)-2-[(2Z,5S)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136858491
N-(4-bromophenyl)-2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691786
N-(4-bromophenyl)-2-[(2E,5S)-4-oxo-2-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135938171
N-(4-fluorophenyl)-2-[(2Z)-2-[(E)-3-methylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135422562

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 136914461) is N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)C1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is NUCZQLXLTNVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2S/c1-12(13-5-3-2-4-6-13)23-24-19-22-18(26)16(27-19)11-17(25)21-15-9-7-14(20)8-10-15/h7-10,13,16H,2-6,11H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 451.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 136914461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).