N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C18H15F2N3O3S — CID 135691558

IUPACN-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccccc1/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S1
InChIInChI=1S/C18H15F2N3O3S/c1-26-14-5-3-2-4-13(14)22-18-23-17(25)15(27-18)9-16(24)21-12-7-6-10(19)8-11(12)20/h2-8,15H,9H2,1H3,(H,21,24)(H,22,23,25)/t15-/m0/s1
InChIKeyVJXKGEITBXQPJT-HNNXBMFYSA-N
MW391.40 g/mol
LogP3.22
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135691558) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135691558
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC NameN-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccccc1/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S1
InChIInChI=1S/C18H15F2N3O3S/c1-26-14-5-3-2-4-13(14)22-18-23-17(25)15(27-18)9-16(24)21-12-7-6-10(19)8-11(12)20/h2-8,15H,9H2,1H3,(H,21,24)(H,22,23,25)/t15-/m0/s1
InChIKeyVJXKGEITBXQPJT-HNNXBMFYSA-N
XLogP3.22
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.22
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

2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135537406
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691540
N-(2,4-difluorophenyl)-2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692014
N-(2,4-difluorophenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692172
N-(2,4-difluorophenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135749167
N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide
CID 135468748
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(2-fluorophenyl)-2-[(5R)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836367
2-[(5S)-2-[4-[(2S)-butan-2-yl]phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide
CID 135691720
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135692137
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135725287

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135691558) is N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccccc1/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is VJXKGEITBXQPJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-26-14-5-3-2-4-13(14)22-18-23-17(25)15(27-18)9-16(24)21-12-7-6-10(19)8-11(12)20/h2-8,15H,9H2,1H3,(H,21,24)(H,22,23,25)/t15-/m0/s1.
What are the key properties of N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 391.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135691558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).