5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one

C22H26FN3O3S — CID 83273286

IUPAC5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESCCC1SC(c2cccc(F)c2)N(CCN2CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C22H26FN3O3S/c1-2-19-21(28)26(22(30-19)16-5-3-6-17(23)15-16)13-10-24-8-11-25(12-9-24)20(27)18-7-4-14-29-18/h3-7,14-15,19,22H,2,8-13H2,1H3
InChIKeyOXPLTMXUVVKMIJ-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.23
Rot. Bonds6

About 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one

5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 83273286) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID83273286
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC Name5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESCCC1SC(c2cccc(F)c2)N(CCN2CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C22H26FN3O3S/c1-2-19-21(28)26(22(30-19)16-5-3-6-17(23)15-16)13-10-24-8-11-25(12-9-24)20(27)18-7-4-14-29-18/h3-7,14-15,19,22H,2,8-13H2,1H3
InChIKeyOXPLTMXUVVKMIJ-UHFFFAOYSA-N
XLogP3.23
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 42815074
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 110397730
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399827
4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
CID 110397721
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 86804160
N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
CID 42815435
[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 118793944

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 83273286) is 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one is CCC1SC(c2cccc(F)c2)N(CCN2CCN(C(=O)c3ccco3)CC2)C1=O.
What is the InChIKey of 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is OXPLTMXUVVKMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-2-19-21(28)26(22(30-19)16-5-3-6-17(23)15-16)13-10-24-8-11-25(12-9-24)20(27)18-7-4-14-29-18/h3-7,14-15,19,22H,2,8-13H2,1H3.
What are the key properties of 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 431.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 83273286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).