N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide

C23H26BrN3O4S — CID 155524669

IUPACN-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1N1C(=O)CSC1c1cccc(Br)c1)NO
InChIInChI=1S/C23H26BrN3O4S/c24-17-9-7-8-16(14-17)23-27(22(30)15-32-23)19-11-6-5-10-18(19)25-20(28)12-3-1-2-4-13-21(29)26-31/h5-11,14,23,31H,1-4,12-13,15H2,(H,25,28)(H,26,29)
InChIKeyKBCQSTIHBGIXEM-UHFFFAOYSA-N
MW520.45 g/mol
LogP5.01
Rot. Bonds10

About N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide

N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide (PubChem CID 155524669) has the molecular formula C23H26BrN3O4S and a molecular weight of 520.45 g/mol. Its IUPAC name is N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide
PubChem CID155524669
Molecular FormulaC23H26BrN3O4S
Molecular Weight520.45 g/mol
Exact Mass519.08
IUPAC NameN-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1N1C(=O)CSC1c1cccc(Br)c1)NO
InChIInChI=1S/C23H26BrN3O4S/c24-17-9-7-8-16(14-17)23-27(22(30)15-32-23)19-11-6-5-10-18(19)25-20(28)12-3-1-2-4-13-21(29)26-31/h5-11,14,23,31H,1-4,12-13,15H2,(H,25,28)(H,26,29)
InChIKeyKBCQSTIHBGIXEM-UHFFFAOYSA-N
XLogP5.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.45
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide
CID 132559048
3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42806145
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 42806131
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide
CID 42806134
N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide
CID 42807663
2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one
CID 130464390
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide
CID 42806144
2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 3288399
3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127167
N-[3-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 93127232
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 42806124

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide (CID 155524669) is N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)Nc1ccccc1N1C(=O)CSC1c1cccc(Br)c1)NO.
What is the InChIKey of N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide?
The InChIKey is KBCQSTIHBGIXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O4S/c24-17-9-7-8-16(14-17)23-27(22(30)15-32-23)19-11-6-5-10-18(19)25-20(28)12-3-1-2-4-13-21(29)26-31/h5-11,14,23,31H,1-4,12-13,15H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide?
N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide has a molecular weight of 520.45 g/mol, XLogP of 5.01, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 155524669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).