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

C20H20BrN3O2S — CID 45143363

IUPACN-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2C)c1
InChIInChI=1S/C20H20BrN3O2S/c1-12-8-13(2)10-14(9-12)22-20-24(3)19(26)17(27-20)11-18(25)23-16-7-5-4-6-15(16)21/h4-10,17H,11H2,1-3H3,(H,23,25)/b22-20-
InChIKeyIWJXPEWLASPSFA-XDOYNYLZSA-N
MW446.37 g/mol
LogP4.66
Rot. Bonds4

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

N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 45143363) has the molecular formula C20H20BrN3O2S and a molecular weight of 446.37 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID45143363
Molecular FormulaC20H20BrN3O2S
Molecular Weight446.37 g/mol
Exact Mass445.05
IUPAC NameN-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2C)c1
InChIInChI=1S/C20H20BrN3O2S/c1-12-8-13(2)10-14(9-12)22-20-24(3)19(26)17(27-20)11-18(25)23-16-7-5-4-6-15(16)21/h4-10,17H,11H2,1-3H3,(H,23,25)/b22-20-
InChIKeyIWJXPEWLASPSFA-XDOYNYLZSA-N
XLogP4.66
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.66
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

N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143362
N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2371292
2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1221375
2-[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4984913
2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 9429999
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-methyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9429953
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949
2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 2700552
N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 35177861
N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 21368655
N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 5057322

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 45143363) is N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2C)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is IWJXPEWLASPSFA-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H20BrN3O2S/c1-12-8-13(2)10-14(9-12)22-20-24(3)19(26)17(27-20)11-18(25)23-16-7-5-4-6-15(16)21/h4-10,17H,11H2,1-3H3,(H,23,25)/b22-20-.
What are the key properties of N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 446.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 45143363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).