4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole

C19H20FN3O3S2 — CID 36925899

IUPAC4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cs2)o1
InChIInChI=1S/C19H20FN3O3S2/c1-14-5-6-18(26-14)19-21-16(13-27-19)12-22-7-9-23(10-8-22)28(24,25)17-4-2-3-15(20)11-17/h2-6,11,13H,7-10,12H2,1H3
InChIKeyIMPMOMGIMTYPMD-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.36
Rot. Bonds5

About 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole

4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole (PubChem CID 36925899) has the molecular formula C19H20FN3O3S2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
PubChem CID36925899
Molecular FormulaC19H20FN3O3S2
Molecular Weight421.52 g/mol
Exact Mass421.09
IUPAC Name4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cs2)o1
InChIInChI=1S/C19H20FN3O3S2/c1-14-5-6-18(26-14)19-21-16(13-27-19)12-22-7-9-23(10-8-22)28(24,25)17-4-2-3-15(20)11-17/h2-6,11,13H,7-10,12H2,1H3
InChIKeyIMPMOMGIMTYPMD-UHFFFAOYSA-N
XLogP3.36
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole with MolForge

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Related Compounds

3,5-dimethyl-4-[[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 36944504
4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31112463
4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide
CID 37361797
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254707
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 18155952
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 9369945
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571641

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole?
The IUPAC name of 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole (CID 36925899) is 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole is Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cs2)o1.
What is the InChIKey of 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole?
The InChIKey is IMPMOMGIMTYPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S2/c1-14-5-6-18(26-14)19-21-16(13-27-19)12-22-7-9-23(10-8-22)28(24,25)17-4-2-3-15(20)11-17/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole?
4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole has a molecular weight of 421.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 36925899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).