N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide

C17H21Br2N3O2S — CID 5226426

IUPACN-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCC(C)/N=C1\SC(CC(=O)Nc2ccc(Br)cc2Br)C(=O)N1C(C)C
InChIInChI=1S/C17H21Br2N3O2S/c1-9(2)20-17-22(10(3)4)16(24)14(25-17)8-15(23)21-13-6-5-11(18)7-12(13)19/h5-7,9-10,14H,8H2,1-4H3,(H,21,23)/b20-17-
InChIKeyOVKOZAQLDRLCPF-JZJYNLBNSA-N
MW491.25 g/mol
LogP4.66
Rot. Bonds5

About N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide

N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 5226426) has the molecular formula C17H21Br2N3O2S and a molecular weight of 491.25 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID5226426
Molecular FormulaC17H21Br2N3O2S
Molecular Weight491.25 g/mol
Exact Mass488.97
IUPAC NameN-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCC(C)/N=C1\SC(CC(=O)Nc2ccc(Br)cc2Br)C(=O)N1C(C)C
InChIInChI=1S/C17H21Br2N3O2S/c1-9(2)20-17-22(10(3)4)16(24)14(25-17)8-15(23)21-13-6-5-11(18)7-12(13)19/h5-7,9-10,14H,8H2,1-4H3,(H,21,23)/b20-17-
InChIKeyOVKOZAQLDRLCPF-JZJYNLBNSA-N
XLogP4.66
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.25
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-(4-methylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 6914760
N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide
CID 1225011
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 5228905
N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143363
2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368867
2-[(5S)-2-(butan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dibromophenyl)acetamide
CID 137195599
N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2371292
N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695482
N-(2-cyanophenyl)-2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368873
N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892036
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
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-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide (CID 5226426) is N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide is CC(C)/N=C1\SC(CC(=O)Nc2ccc(Br)cc2Br)C(=O)N1C(C)C.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is OVKOZAQLDRLCPF-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H21Br2N3O2S/c1-9(2)20-17-22(10(3)4)16(24)14(25-17)8-15(23)21-13-6-5-11(18)7-12(13)19/h5-7,9-10,14H,8H2,1-4H3,(H,21,23)/b20-17-.
What are the key properties of N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 491.25 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 5226426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).