N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide

C15H13BrN4O2S2 — CID 3269032

IUPACN-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(Br)cc2)SC1=Nc1nccs1
InChIInChI=1S/C15H13BrN4O2S2/c1-20-13(22)11(24-15(20)19-14-17-6-7-23-14)8-12(21)18-10-4-2-9(16)3-5-10/h2-7,11H,8H2,1H3,(H,18,21)
InChIKeyVBBLAOZFDNQXBT-UHFFFAOYSA-N
MW425.33 g/mol
LogP3.50
Rot. Bonds4

About N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide

N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3269032) has the molecular formula C15H13BrN4O2S2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID3269032
Molecular FormulaC15H13BrN4O2S2
Molecular Weight425.33 g/mol
Exact Mass423.97
IUPAC NameN-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(Br)cc2)SC1=Nc1nccs1
InChIInChI=1S/C15H13BrN4O2S2/c1-20-13(22)11(24-15(20)19-14-17-6-7-23-14)8-12(21)18-10-4-2-9(16)3-5-10/h2-7,11H,8H2,1H3,(H,18,21)
InChIKeyVBBLAOZFDNQXBT-UHFFFAOYSA-N
XLogP3.50
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 4311304
N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 3975247
2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4986025
N-(2,4-dimethylphenyl)-2-[(2E)-3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 6050944
2-[(2Z)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6253119
2-[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4984913
N-(3,5-dimethylphenyl)-2-[(2E)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 21368980
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
4-[[2-[2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3477220

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide (CID 3269032) is N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide is CN1C(=O)C(CC(=O)Nc2ccc(Br)cc2)SC1=Nc1nccs1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is VBBLAOZFDNQXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S2/c1-20-13(22)11(24-15(20)19-14-17-6-7-23-14)8-12(21)18-10-4-2-9(16)3-5-10/h2-7,11H,8H2,1H3,(H,18,21).
What are the key properties of N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 425.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3269032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).