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

C22H22BrN3O2S — CID 5057322

IUPACN-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c(C)c1
InChIInChI=1S/C22H22BrN3O2S/c1-13-7-10-17(14(2)11-13)25-22-26(15-8-9-15)21(28)19(29-22)12-20(27)24-18-6-4-3-5-16(18)23/h3-7,10-11,15,19H,8-9,12H2,1-2H3,(H,24,27)/b25-22-
InChIKeyKWDDJNLVOUBTPQ-LVWGJNHUSA-N
MW472.41 g/mol
LogP5.19
Rot. Bonds5

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

N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 5057322) has the molecular formula C22H22BrN3O2S and a molecular weight of 472.41 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID5057322
Molecular FormulaC22H22BrN3O2S
Molecular Weight472.41 g/mol
Exact Mass471.06
IUPAC NameN-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c(C)c1
InChIInChI=1S/C22H22BrN3O2S/c1-13-7-10-17(14(2)11-13)25-22-26(15-8-9-15)21(28)19(29-22)12-20(27)24-18-6-4-3-5-16(18)23/h3-7,10-11,15,19H,8-9,12H2,1-2H3,(H,24,27)/b25-22-
InChIKeyKWDDJNLVOUBTPQ-LVWGJNHUSA-N
XLogP5.19
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715610
N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42991701
2-[3-cyclopentyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42914723
2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715661
2-[(5S)-3-cyclopropyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715564
2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 2700552
2-[3-cyclopropyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990676
2-[(5S)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7974349
2-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 3499708
N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555650
2-[(5R)-3-cyclopropyl-2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715573
N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143363

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 5057322) is N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c(C)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is KWDDJNLVOUBTPQ-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H22BrN3O2S/c1-13-7-10-17(14(2)11-13)25-22-26(15-8-9-15)21(28)19(29-22)12-20(27)24-18-6-4-3-5-16(18)23/h3-7,10-11,15,19H,8-9,12H2,1-2H3,(H,24,27)/b25-22-.
What are the key properties of N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 472.41 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 5057322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).