2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide

C15H17Cl2N3O2S — CID 135691982

IUPAC2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCC(C)(C)/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1
InChIInChI=1S/C15H17Cl2N3O2S/c1-15(2,3)20-14-19-13(22)10(23-14)7-11(21)18-9-6-4-5-8(16)12(9)17/h4-6,10H,7H2,1-3H3,(H,18,21)(H,19,20,22)/t10-/m0/s1
InChIKeyDTOSEHZXIHBKBG-JTQLQIEISA-N
MW374.29 g/mol
LogP3.71
Rot. Bonds3

About 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide

2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 135691982) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
PubChem CID135691982
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC Name2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCC(C)(C)/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1
InChIInChI=1S/C15H17Cl2N3O2S/c1-15(2,3)20-14-19-13(22)10(23-14)7-11(21)18-9-6-4-5-8(16)12(9)17/h4-6,10H,7H2,1-3H3,(H,18,21)(H,19,20,22)/t10-/m0/s1
InChIKeyDTOSEHZXIHBKBG-JTQLQIEISA-N
XLogP3.71
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.71
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-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135691951
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940
N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
2-[(2Z)-2-[(E)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135422589
2-[(2E,5R)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135877657
N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135665531
N-(2,3-dichlorophenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135599556
N-(2,3-dichlorophenyl)-2-[2-[1-(4-nitrophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135543418
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169
N-(2-chlorophenyl)-2-[(5S)-2-cyclopropylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725249
2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
CID 135774989

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide (CID 135691982) is 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide is CC(C)(C)/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1.
What is the InChIKey of 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is DTOSEHZXIHBKBG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17Cl2N3O2S/c1-15(2,3)20-14-19-13(22)10(23-14)7-11(21)18-9-6-4-5-8(16)12(9)17/h4-6,10H,7H2,1-3H3,(H,18,21)(H,19,20,22)/t10-/m0/s1.
What are the key properties of 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 374.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 135691982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).