[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C16H15F3N2O2S — CID 146570846

IUPAC[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cnc(N2CCC[C@H](O)C2)s1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)11-4-1-3-10(7-11)14(23)13-8-20-15(24-13)21-6-2-5-12(22)9-21/h1,3-4,7-8,12,22H,2,5-6,9H2/t12-/m0/s1
InChIKeyCKZHFHINXVJWRM-LBPRGKRZSA-N
MW356.37 g/mol
LogP3.35
Rot. Bonds3

About [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 146570846) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID146570846
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cnc(N2CCC[C@H](O)C2)s1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)11-4-1-3-10(7-11)14(23)13-8-20-15(24-13)21-6-2-5-12(22)9-21/h1,3-4,7-8,12,22H,2,5-6,9H2/t12-/m0/s1
InChIKeyCKZHFHINXVJWRM-LBPRGKRZSA-N
XLogP3.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146571023
[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 152554134
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146570881
[2-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571057
(3S)-1-[3-[3-(trifluoromethyl)phenyl]sulfonylquinolin-8-yl]piperidin-3-ol
CID 130404359
[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571073
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869650
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45243704
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 146570846) is [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1cnc(N2CCC[C@H](O)C2)s1.
What is the InChIKey of [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is CKZHFHINXVJWRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)11-4-1-3-10(7-11)14(23)13-8-20-15(24-13)21-6-2-5-12(22)9-21/h1,3-4,7-8,12,22H,2,5-6,9H2/t12-/m0/s1.
What are the key properties of [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 356.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 146570846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).