2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C17H19FN2OS — CID 95735012

IUPAC2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1csc([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C17H19FN2OS/c1-12-11-22-17(19-12)15-7-2-3-8-20(15)16(21)10-13-5-4-6-14(18)9-13/h4-6,9,11,15H,2-3,7-8,10H2,1H3/t15-/m0/s1
InChIKeyZWDAWRYPPLAOTD-HNNXBMFYSA-N
MW318.42 g/mol
LogP3.89
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95735012) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95735012
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1csc([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C17H19FN2OS/c1-12-11-22-17(19-12)15-7-2-3-8-20(15)16(21)10-13-5-4-6-14(18)9-13/h4-6,9,11,15H,2-3,7-8,10H2,1H3/t15-/m0/s1
InChIKeyZWDAWRYPPLAOTD-HNNXBMFYSA-N
XLogP3.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
2-[benzyl(methyl)amino]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762430
2-[cyclopropyl(methyl)amino]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95780512
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762464
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762466
6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95762482
1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63393969
1-[3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95762367
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95769941
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95735012) is 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is Cc1csc([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is ZWDAWRYPPLAOTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-12-11-22-17(19-12)15-7-2-3-8-20(15)16(21)10-13-5-4-6-14(18)9-13/h4-6,9,11,15H,2-3,7-8,10H2,1H3/t15-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95735012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).