2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C17H18F2N2OS — CID 95779150

IUPAC2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1csc([C@@H]2CCCN(C(=O)Cc3cc(F)ccc3F)C2)n1
InChIInChI=1S/C17H18F2N2OS/c1-11-10-23-17(20-11)12-3-2-6-21(9-12)16(22)8-13-7-14(18)4-5-15(13)19/h4-5,7,10,12H,2-3,6,8-9H2,1H3/t12-/m1/s1
InChIKeyQZMJLJIXLVYBBF-GFCCVEGCSA-N
MW336.41 g/mol
LogP3.68
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95779150) has the molecular formula C17H18F2N2OS and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95779150
Molecular FormulaC17H18F2N2OS
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1csc([C@@H]2CCCN(C(=O)Cc3cc(F)ccc3F)C2)n1
InChIInChI=1S/C17H18F2N2OS/c1-11-10-23-17(20-11)12-3-2-6-21(9-12)16(22)8-13-7-14(18)4-5-15(13)19/h4-5,7,10,12H,2-3,6,8-9H2,1H3/t12-/m1/s1
InChIKeyQZMJLJIXLVYBBF-GFCCVEGCSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261
2-(2,5-difluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119490122
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 124691260
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95778905
N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842105
2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881217
2-[3-[(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126426778
(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95779136

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95779150) is 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is Cc1csc([C@@H]2CCCN(C(=O)Cc3cc(F)ccc3F)C2)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is QZMJLJIXLVYBBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F2N2OS/c1-11-10-23-17(20-11)12-3-2-6-21(9-12)16(22)8-13-7-14(18)4-5-15(13)19/h4-5,7,10,12H,2-3,6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 336.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95779150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).