N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide

C20H20FN3O2S — CID 72722227

IUPACN-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCCN1C(=O)CS/C1=N\NC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H20FN3O2S/c1-3-24-18(25)12-27-20(24)23-22-19(26)13(2)15-9-10-16(17(21)11-15)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,22,26)/b23-20-
InChIKeyOSVIUHYPLNGSBG-ATJXCDBQSA-N
MW385.46 g/mol
LogP3.58
Rot. Bonds5

About N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide

N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide (PubChem CID 72722227) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide
PubChem CID72722227
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCCN1C(=O)CS/C1=N\NC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H20FN3O2S/c1-3-24-18(25)12-27-20(24)23-22-19(26)13(2)15-9-10-16(17(21)11-15)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,22,26)/b23-20-
InChIKeyOSVIUHYPLNGSBG-ATJXCDBQSA-N
XLogP3.58
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide?
The IUPAC name of N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide (CID 72722227) is N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide.
What is the SMILES notation for N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide?
The canonical SMILES for N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide is CCN1C(=O)CS/C1=N\NC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide?
The InChIKey is OSVIUHYPLNGSBG-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-3-24-18(25)12-27-20(24)23-22-19(26)13(2)15-9-10-16(17(21)11-15)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,22,26)/b23-20-.
What are the key properties of N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide?
N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide has a molecular weight of 385.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide is sourced from PubChem (CID 72722227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).