2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide

C19H16BrFN4O4S — CID 21368790

IUPAC2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(Br)cc1F
InChIInChI=1S/C19H16BrFN4O4S/c1-2-24-18(27)16(30-19(24)23-13-8-7-11(20)9-12(13)21)10-17(26)22-14-5-3-4-6-15(14)25(28)29/h3-9,16H,2,10H2,1H3,(H,22,26)/b23-19-
InChIKeyKSWIJHXTLPXTJZ-NMWGTECJSA-N
MW495.33 g/mol
LogP4.48
Rot. Bonds6

About 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide

2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide (PubChem CID 21368790) has the molecular formula C19H16BrFN4O4S and a molecular weight of 495.33 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
PubChem CID21368790
Molecular FormulaC19H16BrFN4O4S
Molecular Weight495.33 g/mol
Exact Mass494.01
IUPAC Name2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(Br)cc1F
InChIInChI=1S/C19H16BrFN4O4S/c1-2-24-18(27)16(30-19(24)23-13-8-7-11(20)9-12(13)21)10-17(26)22-14-5-3-4-6-15(14)25(28)29/h3-9,16H,2,10H2,1H3,(H,22,26)/b23-19-
InChIKeyKSWIJHXTLPXTJZ-NMWGTECJSA-N
XLogP4.48
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 21368779
2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368867
N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368873
N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368763
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9498884
2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 7413953
N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368837
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 40844848
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849
2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368734
2-[2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 45143247
N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 21368655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide (CID 21368790) is 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(Br)cc1F.
What is the InChIKey of 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide?
The InChIKey is KSWIJHXTLPXTJZ-NMWGTECJSA-N. The full InChI is InChI=1S/C19H16BrFN4O4S/c1-2-24-18(27)16(30-19(24)23-13-8-7-11(20)9-12(13)21)10-17(26)22-14-5-3-4-6-15(14)25(28)29/h3-9,16H,2,10H2,1H3,(H,22,26)/b23-19-.
What are the key properties of 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide?
2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide has a molecular weight of 495.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 21368790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).