1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone

C16H17FN2OS — CID 97340593

IUPAC1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCC[C@H](c2nccs2)C1
InChIInChI=1S/C16H17FN2OS/c1-11(20)15-13(17)5-2-6-14(15)19-8-3-4-12(10-19)16-18-7-9-21-16/h2,5-7,9,12H,3-4,8,10H2,1H3/t12-/m0/s1
InChIKeyKOTHEOYNZOPRII-LBPRGKRZSA-N
MW304.39 g/mol
LogP3.87
Rot. Bonds3

About 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone

1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone (PubChem CID 97340593) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
PubChem CID97340593
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCC[C@H](c2nccs2)C1
InChIInChI=1S/C16H17FN2OS/c1-11(20)15-13(17)5-2-6-14(15)19-8-3-4-12(10-19)16-18-7-9-21-16/h2,5-7,9,12H,3-4,8,10H2,1H3/t12-/m0/s1
InChIKeyKOTHEOYNZOPRII-LBPRGKRZSA-N
XLogP3.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]ethanone
CID 63151021
1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
CID 133275817
2-[1-(3-methylsulfonyl-2-nitrophenyl)piperidin-3-yl]-1,3-thiazole
CID 133393877
4-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133469453
N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide
CID 96567414
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-[2-fluoro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 62974493
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
(2-chloro-6-fluorophenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289794
1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole
CID 124883316

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone (CID 97340593) is 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone is CC(=O)c1c(F)cccc1N1CCC[C@H](c2nccs2)C1.
What is the InChIKey of 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone?
The InChIKey is KOTHEOYNZOPRII-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11(20)15-13(17)5-2-6-14(15)19-8-3-4-12(10-19)16-18-7-9-21-16/h2,5-7,9,12H,3-4,8,10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone?
1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 97340593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).