5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

C11H11FN2OS — CID 135523629

IUPAC5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\c2ccc(F)cc2)NC1=O
InChIInChI=1S/C11H11FN2OS/c1-2-9-10(15)14-11(16-9)13-8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H,13,14,15)
InChIKeyYNCOAHHZTLKACK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.45
Rot. Bonds2

About 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135523629) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135523629
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\c2ccc(F)cc2)NC1=O
InChIInChI=1S/C11H11FN2OS/c1-2-9-10(15)14-11(16-9)13-8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H,13,14,15)
InChIKeyYNCOAHHZTLKACK-UHFFFAOYSA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CID 135406265
2-p-Tolylamino-thiazol-4-one
CID 135411781
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
2-[(4-Fluorophenyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135426081
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
5-Methyl-5-(propan-2-yl)-2-{[2-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1,3-thiazol-4-one
CID 135678109
2-o-Tolylamino-thiazol-4-one
CID 135415405
(Z)-4-((4-fluorophenyl)imino)thiazolidin-2-one
CID 135399109
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
CID 1774136
5-Isopropyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135414361

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 135523629) is 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is CCC1S/C(=N\c2ccc(F)cc2)NC1=O.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is YNCOAHHZTLKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-2-9-10(15)14-11(16-9)13-8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H,13,14,15).
What are the key properties of 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 238.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).