1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one

C18H22FN3OS — CID 3223615

IUPAC1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H22FN3OS/c1-2-3-4-17(23)21-9-11-22(12-10-21)18-20-16(13-24-18)14-5-7-15(19)8-6-14/h5-8,13H,2-4,9-12H2,1H3
InChIKeyIYOYLAFGIQLVFN-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.79
Rot. Bonds5

About 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one

1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one (PubChem CID 3223615) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one
PubChem CID3223615
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H22FN3OS/c1-2-3-4-17(23)21-9-11-22(12-10-21)18-20-16(13-24-18)14-5-7-15(19)8-6-14/h5-8,13H,2-4,9-12H2,1H3
InChIKeyIYOYLAFGIQLVFN-UHFFFAOYSA-N
XLogP3.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]morpholine
CID 683402
H3B-120
CID 132355378
TJ-M2010-5
CID 71542350
4-(4-Phenyl-1,3-thiazol-2-yl)morpholine
CID 727584
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
(R,S)-4-methyl-2-[3''-(2-piperazin-1-yl-thiazol-4-yl)-biphenyl-3-yl]-pentanoic acid cyanomethyl-amide
CID 9891030
1-(Methylsulfonyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine
CID 618556
1-(4-Phenyl-1,3-thiazol-2-yl)piperidine
CID 879105
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
4-methyl-N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]ethyl]piperazine-1-carboxamide
CID 137642813
N-benzyl-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
CID 1830730

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one (CID 3223615) is 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one?
The InChIKey is IYOYLAFGIQLVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-2-3-4-17(23)21-9-11-22(12-10-21)18-20-16(13-24-18)14-5-7-15(19)8-6-14/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one?
1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one has a molecular weight of 347.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 3223615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).