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

C16H20ClN3O2S — CID 135691951

IUPAC2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C(C)(C)C)NC1=O
InChIInChI=1S/C16H20ClN3O2S/c1-9-10(17)6-5-7-11(9)18-13(21)8-12-14(22)19-15(23-12)20-16(2,3)4/h5-7,12H,8H2,1-4H3,(H,18,21)(H,19,20,22)/t12-/m0/s1
InChIKeyIDKMGMSHTOITFF-LBPRGKRZSA-N
MW353.88 g/mol
LogP3.36
Rot. Bonds3

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

2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 135691951) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID135691951
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C(C)(C)C)NC1=O
InChIInChI=1S/C16H20ClN3O2S/c1-9-10(17)6-5-7-11(9)18-13(21)8-12-14(22)19-15(23-12)20-16(2,3)4/h5-7,12H,8H2,1-4H3,(H,18,21)(H,19,20,22)/t12-/m0/s1
InChIKeyIDKMGMSHTOITFF-LBPRGKRZSA-N
XLogP3.36
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.36
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-(2,3-dichlorophenyl)acetamide
CID 135691982
N-(3-chloro-2-methylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618405
2-[(5R)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135673097
N-(3-chloro-2-methylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691582
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691749
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(2-ethyl-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704885
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940
N-(3-chloro-2-methylphenyl)-2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135736524
N-(3-chloro-2-methylphenyl)-2-[(2Z,5R)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135913114
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169
2-[(2E,5R)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135934467
2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135667456

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide (CID 135691951) is 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C(C)(C)C)NC1=O.
What is the InChIKey of 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is IDKMGMSHTOITFF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-9-10(17)6-5-7-11(9)18-13(21)8-12-14(22)19-15(23-12)20-16(2,3)4/h5-7,12H,8H2,1-4H3,(H,18,21)(H,19,20,22)/t12-/m0/s1.
What are the key properties of 2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide?
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 353.88 g/mol, XLogP of 3.36, 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-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 135691951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).