N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide

C14H15F2N3O2S — CID 135468748

IUPACN-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)cc2F)S1
InChIInChI=1S/C14H15F2N3O2S/c1-2-5-17-14-19-13(21)11(22-14)7-12(20)18-10-4-3-8(15)6-9(10)16/h3-4,6,11H,2,5,7H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyAJQNWDDPQDOCFY-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.29
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide

N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 135468748) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID135468748
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)cc2F)S1
InChIInChI=1S/C14H15F2N3O2S/c1-2-5-17-14-19-13(21)11(22-14)7-12(20)18-10-4-3-8(15)6-9(10)16/h3-4,6,11H,2,5,7H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyAJQNWDDPQDOCFY-UHFFFAOYSA-N
XLogP2.29
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.29
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

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-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692014
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-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691558
2-[(5S)-2-[4-[(2S)-butan-2-yl]phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide
CID 135691720
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135691792
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135797709
N-(2,4-dimethylphenyl)-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691482
2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135692132
2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135704997
N-(2-fluorophenyl)-2-[(5R)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836367

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide (CID 135468748) is N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide is CCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)cc2F)S1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is AJQNWDDPQDOCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-2-5-17-14-19-13(21)11(22-14)7-12(20)18-10-4-3-8(15)6-9(10)16/h3-4,6,11H,2,5,7H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide?
N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 135468748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).