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

C18H15Cl2N3O2S — CID 135692285

IUPAC2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(C[C@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2N3O2S/c19-12-7-4-8-13(16(12)20)22-15(24)9-14-17(25)23-18(26-14)21-10-11-5-2-1-3-6-11/h1-8,14H,9-10H2,(H,22,24)(H,21,23,25)/t14-/m1/s1
InChIKeyJSSSLBGPDAEVBZ-CQSZACIVSA-N
MW408.31 g/mol
LogP4.11
Rot. Bonds5

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

2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 135692285) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
PubChem CID135692285
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(C[C@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2N3O2S/c19-12-7-4-8-13(16(12)20)22-15(24)9-14-17(25)23-18(26-14)21-10-11-5-2-1-3-6-11/h1-8,14H,9-10H2,(H,22,24)(H,21,23,25)/t14-/m1/s1
InChIKeyJSSSLBGPDAEVBZ-CQSZACIVSA-N
XLogP4.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.11
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
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 135535538
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135692269
N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135692255
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
CID 135837036
N-(2-chlorophenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618422
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135836409
N-(2-chlorophenyl)-2-[(5S)-2-cyclopropylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725249
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135836355

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide (CID 135692285) is 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide is O=C(C[C@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is JSSSLBGPDAEVBZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c19-12-7-4-8-13(16(12)20)22-15(24)9-14-17(25)23-18(26-14)21-10-11-5-2-1-3-6-11/h1-8,14H,9-10H2,(H,22,24)(H,21,23,25)/t14-/m1/s1.
What are the key properties of 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 408.31 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 135692285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).