N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C15H18BrN3O2S — CID 135673104

IUPACN-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC[C@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1
InChIInChI=1S/C15H18BrN3O2S/c1-3-9(2)17-15-19-14(21)12(22-15)8-13(20)18-11-7-5-4-6-10(11)16/h4-7,9,12H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)/t9-,12-/m0/s1
InChIKeyRODCAOJCCMFTBH-CABZTGNLSA-N
MW384.30 g/mol
LogP3.16
Rot. Bonds5

About N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135673104) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135673104
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC NameN-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC[C@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1
InChIInChI=1S/C15H18BrN3O2S/c1-3-9(2)17-15-19-14(21)12(22-15)8-13(20)18-11-7-5-4-6-10(11)16/h4-7,9,12H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)/t9-,12-/m0/s1
InChIKeyRODCAOJCCMFTBH-CABZTGNLSA-N
XLogP3.16
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
CID 135774989
2-[(5R)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135673097
2-[(5S)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135797711
2-[(5R)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135927418
N-(2-bromophenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020213
N-(2-bromophenyl)-2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135747373
2-[(5S)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 135673114
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691756
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135691768
N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691431
N-(2,5-dimethylphenyl)-2-[(5R)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691430
2-[(5S)-2-(butan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dibromophenyl)acetamide
CID 137195599

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135673104) is N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC[C@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1.
What is the InChIKey of N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is RODCAOJCCMFTBH-CABZTGNLSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-3-9(2)17-15-19-14(21)12(22-15)8-13(20)18-11-7-5-4-6-10(11)16/h4-7,9,12H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)/t9-,12-/m0/s1.
What are the key properties of N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 384.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135673104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).