N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C10H8BrFN2O2S — CID 65429945

IUPACN-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2ccc(Br)c(F)c2)CS1
InChIInChI=1S/C10H8BrFN2O2S/c11-6-2-1-5(3-7(6)12)13-9(15)8-4-17-10(16)14-8/h1-3,8H,4H2,(H,13,15)(H,14,16)
InChIKeyFBMYAFIZTPKJDX-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.35
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 65429945) has the molecular formula C10H8BrFN2O2S and a molecular weight of 319.16 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID65429945
Molecular FormulaC10H8BrFN2O2S
Molecular Weight319.16 g/mol
Exact Mass317.95
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2ccc(Br)c(F)c2)CS1
InChIInChI=1S/C10H8BrFN2O2S/c11-6-2-1-5(3-7(6)12)13-9(15)8-4-17-10(16)14-8/h1-3,8H,4H2,(H,13,15)(H,14,16)
InChIKeyFBMYAFIZTPKJDX-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107612421
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63334680
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43600078
2-chloro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 61398506
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 61131241
3-fluoro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 63190046
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 82885183
N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43599815
2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 65436092
2-methyl-2-[4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]propanoic acid
CID 80549468

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 65429945) is N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)Nc2ccc(Br)c(F)c2)CS1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is FBMYAFIZTPKJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2S/c11-6-2-1-5(3-7(6)12)13-9(15)8-4-17-10(16)14-8/h1-3,8H,4H2,(H,13,15)(H,14,16).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 65429945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).