2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide

C15H16Cl3N3O2S — CID 135775069

IUPAC2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1
InChIInChI=1S/C15H16Cl3N3O2S/c1-7(2)6-19-15-21-14(23)12(24-15)5-13(22)20-11-4-9(17)8(16)3-10(11)18/h3-4,7,12H,5-6H2,1-2H3,(H,20,22)(H,19,21,23)/t12-/m1/s1
InChIKeyKIPQZYUFVTUWJR-GFCCVEGCSA-N
MW408.74 g/mol
LogP4.22
Rot. Bonds5

About 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide

2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 135775069) has the molecular formula C15H16Cl3N3O2S and a molecular weight of 408.74 g/mol. Its IUPAC name is 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID135775069
Molecular FormulaC15H16Cl3N3O2S
Molecular Weight408.74 g/mol
Exact Mass407.00
IUPAC Name2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1
InChIInChI=1S/C15H16Cl3N3O2S/c1-7(2)6-19-15-21-14(23)12(24-15)5-13(22)20-11-4-9(17)8(16)3-10(11)18/h3-4,7,12H,5-6H2,1-2H3,(H,20,22)(H,19,21,23)/t12-/m1/s1
InChIKeyKIPQZYUFVTUWJR-GFCCVEGCSA-N
XLogP4.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.74
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-nitrophenyl)-2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836425
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535503
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135724972
N-(2,4-dimethoxyphenyl)-2-[(5S)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135938646
N-(4-methyl-2-nitrophenyl)-2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692119
N-(2-methoxy-5-nitrophenyl)-2-[(5S)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135724974
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691749
2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
CID 135774989
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135691768
2-[(5R)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135673097
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691464
N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide
CID 135468748

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 135775069) is 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide is CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1.
What is the InChIKey of 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is KIPQZYUFVTUWJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16Cl3N3O2S/c1-7(2)6-19-15-21-14(23)12(24-15)5-13(22)20-11-4-9(17)8(16)3-10(11)18/h3-4,7,12H,5-6H2,1-2H3,(H,20,22)(H,19,21,23)/t12-/m1/s1.
What are the key properties of 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 408.74 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 135775069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).