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

C20H21BrN2O4S — CID 132559048

IUPAC5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide
SMILESO=C(CCCCOc1ccccc1N1C(=O)CSC1c1cccc(Br)c1)NO
InChIInChI=1S/C20H21BrN2O4S/c21-15-7-5-6-14(12-15)20-23(19(25)13-28-20)16-8-1-2-9-17(16)27-11-4-3-10-18(24)22-26/h1-2,5-9,12,20,26H,3-4,10-11,13H2,(H,22,24)
InChIKeyCJVCMQCNTYWLDS-UHFFFAOYSA-N
MW465.37 g/mol
LogP4.28
Rot. Bonds8

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

5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide (PubChem CID 132559048) has the molecular formula C20H21BrN2O4S and a molecular weight of 465.37 g/mol. Its IUPAC name is 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide
PubChem CID132559048
Molecular FormulaC20H21BrN2O4S
Molecular Weight465.37 g/mol
Exact Mass464.04
IUPAC Name5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide
SMILESO=C(CCCCOc1ccccc1N1C(=O)CSC1c1cccc(Br)c1)NO
InChIInChI=1S/C20H21BrN2O4S/c21-15-7-5-6-14(12-15)20-23(19(25)13-28-20)16-8-1-2-9-17(16)27-11-4-3-10-18(24)22-26/h1-2,5-9,12,20,26H,3-4,10-11,13H2,(H,22,24)
InChIKeyCJVCMQCNTYWLDS-UHFFFAOYSA-N
XLogP4.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide?
The IUPAC name of 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide (CID 132559048) is 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide.
What is the SMILES notation for 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide?
The canonical SMILES for 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide is O=C(CCCCOc1ccccc1N1C(=O)CSC1c1cccc(Br)c1)NO.
What is the InChIKey of 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide?
The InChIKey is CJVCMQCNTYWLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4S/c21-15-7-5-6-14(12-15)20-23(19(25)13-28-20)16-8-1-2-9-17(16)27-11-4-3-10-18(24)22-26/h1-2,5-9,12,20,26H,3-4,10-11,13H2,(H,22,24).
What are the key properties of 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide?
5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide has a molecular weight of 465.37 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide is sourced from PubChem (CID 132559048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).