[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone

C16H16F2N2O2S — CID 136584874

IUPAC[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](O)CCN1C(=O)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C16H16F2N2O2S/c1-9-7-10(21)5-6-20(9)16(22)13-8-23-15(19-13)14-11(17)3-2-4-12(14)18/h2-4,8-10,21H,5-7H2,1H3/t9-,10-/m1/s1
InChIKeyBXXHXQHUDIBKNN-NXEZZACHSA-N
MW338.38 g/mol
LogP3.07
Rot. Bonds2

About [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone

[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone (PubChem CID 136584874) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
PubChem CID136584874
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](O)CCN1C(=O)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C16H16F2N2O2S/c1-9-7-10(21)5-6-20(9)16(22)13-8-23-15(19-13)14-11(17)3-2-4-12(14)18/h2-4,8-10,21H,5-7H2,1H3/t9-,10-/m1/s1
InChIKeyBXXHXQHUDIBKNN-NXEZZACHSA-N
XLogP3.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570547
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119632194
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119636471
[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 99778983
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 122149093
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996986
(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide
CID 95584881
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 124691936
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone (CID 136584874) is [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone is C[C@@H]1C[C@H](O)CCN1C(=O)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The InChIKey is BXXHXQHUDIBKNN-NXEZZACHSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c1-9-7-10(21)5-6-20(9)16(22)13-8-23-15(19-13)14-11(17)3-2-4-12(14)18/h2-4,8-10,21H,5-7H2,1H3/t9-,10-/m1/s1.
What are the key properties of [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone has a molecular weight of 338.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 136584874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).