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

C21H24FN3O2S2 — CID 42814550

IUPAC2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2)N(CCN2CCN(C(=O)c3cccs3)CC2)C1=O
InChIInChI=1S/C21H24FN3O2S2/c1-15-19(26)25(21(29-15)16-4-6-17(22)7-5-16)13-10-23-8-11-24(12-9-23)20(27)18-3-2-14-28-18/h2-7,14-15,21H,8-13H2,1H3
InChIKeyRBVAOSHDOYZAEB-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.31
Rot. Bonds5

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

2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 42814550) has the molecular formula C21H24FN3O2S2 and a molecular weight of 433.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID42814550
Molecular FormulaC21H24FN3O2S2
Molecular Weight433.57 g/mol
Exact Mass433.13
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2)N(CCN2CCN(C(=O)c3cccs3)CC2)C1=O
InChIInChI=1S/C21H24FN3O2S2/c1-15-19(26)25(21(29-15)16-4-6-17(22)7-5-16)13-10-23-8-11-24(12-9-23)20(27)18-3-2-14-28-18/h2-7,14-15,21H,8-13H2,1H3
InChIKeyRBVAOSHDOYZAEB-UHFFFAOYSA-N
XLogP3.31
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814715
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 110412017
5-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 42816175
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9331419
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
[4-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 171916471
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9330923
1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one
CID 18142015

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 42814550) is 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one is CC1SC(c2ccc(F)cc2)N(CCN2CCN(C(=O)c3cccs3)CC2)C1=O.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is RBVAOSHDOYZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S2/c1-15-19(26)25(21(29-15)16-4-6-17(22)7-5-16)13-10-23-8-11-24(12-9-23)20(27)18-3-2-14-28-18/h2-7,14-15,21H,8-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 433.57 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).