[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C19H22FN3O4S — CID 51360641

IUPAC[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C19H22FN3O4S/c20-16-5-3-15(4-6-16)12-23-13-17(14-28(23,25)26)21-7-9-22(10-8-21)19(24)18-2-1-11-27-18/h1-6,11,17H,7-10,12-14H2
InChIKeyXANDKAGZFTYBCX-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.39
Rot. Bonds4

About [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 51360641) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID51360641
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C19H22FN3O4S/c20-16-5-3-15(4-6-16)12-23-13-17(14-28(23,25)26)21-7-9-22(10-8-21)19(24)18-2-1-11-27-18/h1-6,11,17H,7-10,12-14H2
InChIKeyXANDKAGZFTYBCX-UHFFFAOYSA-N
XLogP1.39
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone 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

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-(furan-2-yl)prop-2-enamide
CID 5975659
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
Furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777476
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
[4-(4-Fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 2238809
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
(E)-3-(2-ethoxyphenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9509480
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,3,5-trimethyl-2-furamide
CID 24817851
1-[(4-Butylphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 3554017
2-Furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone
CID 3846584

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 51360641) is [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1.
What is the InChIKey of [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XANDKAGZFTYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c20-16-5-3-15(4-6-16)12-23-13-17(14-28(23,25)26)21-7-9-22(10-8-21)19(24)18-2-1-11-27-18/h1-6,11,17H,7-10,12-14H2.
What are the key properties of [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 407.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 51360641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).