2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide

C15H18FN3O2S — CID 3147899

IUPAC2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
SMILESCC/N=C1/SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC
InChIInChI=1S/C15H18FN3O2S/c1-3-17-15-19(4-2)14(21)12(22-15)9-13(20)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,20)/b17-15+
InChIKeyNKQUIQVZHWSVQC-BMRADRMJSA-N
MW323.39 g/mol
LogP2.49
Rot. Bonds5

About 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide

2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 3147899) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
PubChem CID3147899
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
SMILESCC/N=C1/SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC
InChIInChI=1S/C15H18FN3O2S/c1-3-17-15-19(4-2)14(21)12(22-15)9-13(20)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,20)/b17-15+
InChIKeyNKQUIQVZHWSVQC-BMRADRMJSA-N
XLogP2.49
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide (CID 3147899) is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide is CC/N=C1/SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC.
What is the InChIKey of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is NKQUIQVZHWSVQC-BMRADRMJSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-3-17-15-19(4-2)14(21)12(22-15)9-13(20)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,20)/b17-15+.
What are the key properties of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 323.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3147899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).