N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C10H7BrF2N2O2S — CID 107612421

IUPACN-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cc(F)c(Br)cc2F)CS1
InChIInChI=1S/C10H7BrF2N2O2S/c11-4-1-6(13)7(2-5(4)12)14-9(16)8-3-18-10(17)15-8/h1-2,8H,3H2,(H,14,16)(H,15,17)
InChIKeyAQXMKHZKRXNMJD-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.49
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 107612421) has the molecular formula C10H7BrF2N2O2S and a molecular weight of 337.15 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID107612421
Molecular FormulaC10H7BrF2N2O2S
Molecular Weight337.15 g/mol
Exact Mass335.94
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cc(F)c(Br)cc2F)CS1
InChIInChI=1S/C10H7BrF2N2O2S/c11-4-1-6(13)7(2-5(4)12)14-9(16)8-3-18-10(17)15-8/h1-2,8H,3H2,(H,14,16)(H,15,17)
InChIKeyAQXMKHZKRXNMJD-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43600078
3-fluoro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 63190046
2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43442838
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63334680
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107611804
N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103909809
4-chloro-3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43096493
1-[(4-bromo-2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107615292
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 82885183
N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43520475
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 107612421) is N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)Nc2cc(F)c(Br)cc2F)CS1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is AQXMKHZKRXNMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O2S/c11-4-1-6(13)7(2-5(4)12)14-9(16)8-3-18-10(17)15-8/h1-2,8H,3H2,(H,14,16)(H,15,17).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 337.15 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 107612421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).