2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole

C15H17FN2S — CID 124754983

IUPAC2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFc1cccc([C@@H]2CCCCN2Cc2nccs2)c1
InChIInChI=1S/C15H17FN2S/c16-13-5-3-4-12(10-13)14-6-1-2-8-18(14)11-15-17-7-9-19-15/h3-5,7,9-10,14H,1-2,6,8,11H2/t14-/m0/s1
InChIKeyPIGUKCWAQJMCJP-AWEZNQCLSA-N
MW276.38 g/mol
LogP4.01
Rot. Bonds3

About 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole

2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124754983) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID124754983
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFc1cccc([C@@H]2CCCCN2Cc2nccs2)c1
InChIInChI=1S/C15H17FN2S/c16-13-5-3-4-12(10-13)14-6-1-2-8-18(14)11-15-17-7-9-19-15/h3-5,7,9-10,14H,1-2,6,8,11H2/t14-/m0/s1
InChIKeyPIGUKCWAQJMCJP-AWEZNQCLSA-N
XLogP4.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 56901808
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
CID 99928446
(2R)-1-[(2-ethylpyrimidin-4-yl)methyl]-2-(3-fluorophenyl)azepane
CID 99930686
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperidine
CID 99935057
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 56914593
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
CID 56889121
1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895866
2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95895040

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 124754983) is 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole is Fc1cccc([C@@H]2CCCCN2Cc2nccs2)c1.
What is the InChIKey of 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PIGUKCWAQJMCJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-5-3-4-12(10-13)14-6-1-2-8-18(14)11-15-17-7-9-19-15/h3-5,7,9-10,14H,1-2,6,8,11H2/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 276.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124754983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).