N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide

C17H20ClN3O3S — CID 135849439

IUPACN-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N\C[C@@H]2CCCO2)NC1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c18-12-5-3-11(4-6-12)9-19-15(22)8-14-16(23)21-17(25-14)20-10-13-2-1-7-24-13/h3-6,13-14H,1-2,7-10H2,(H,19,22)(H,20,21,23)/t13-,14+/m0/s1
InChIKeyJIFUZRQIIZAZFB-UONOGXRCSA-N
MW381.89 g/mol
LogP2.11
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135849439) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
PubChem CID135849439
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N\C[C@@H]2CCCO2)NC1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c18-12-5-3-11(4-6-12)9-19-15(22)8-14-16(23)21-17(25-14)20-10-13-2-1-7-24-13/h3-6,13-14H,1-2,7-10H2,(H,19,22)(H,20,21,23)/t13-,14+/m0/s1
InChIKeyJIFUZRQIIZAZFB-UONOGXRCSA-N
XLogP2.11
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135849441
2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 135708434
N-[2-(4-methoxyphenyl)ethyl]-2-[(5R)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135828349
N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135718712
2-[(5S)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135673219
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135738827
N-(2-chloro-5-nitrophenyl)-2-[(5S)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135721760
N-(2-chloro-5-nitrophenyl)-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135721759
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide
CID 110625410
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135956090
N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135952219

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide (CID 135849439) is N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@H]1S/C(=N\C[C@@H]2CCCO2)NC1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is JIFUZRQIIZAZFB-UONOGXRCSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c18-12-5-3-11(4-6-12)9-19-15(22)8-14-16(23)21-17(25-14)20-10-13-2-1-7-24-13/h3-6,13-14H,1-2,7-10H2,(H,19,22)(H,20,21,23)/t13-,14+/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 381.89 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135849439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).