2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

C16H19FN2S — CID 29057023

IUPAC2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccccc1CC1CCN(Cc2nccs2)CC1
InChIInChI=1S/C16H19FN2S/c17-15-4-2-1-3-14(15)11-13-5-8-19(9-6-13)12-16-18-7-10-20-16/h1-4,7,10,13H,5-6,8-9,11-12H2
InChIKeyOEVJLIRXBWWCDI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.74
Rot. Bonds4

About 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 29057023) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID29057023
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccccc1CC1CCN(Cc2nccs2)CC1
InChIInChI=1S/C16H19FN2S/c17-15-4-2-1-3-14(15)11-13-5-8-19(9-6-13)12-16-18-7-10-20-16/h1-4,7,10,13H,5-6,8-9,11-12H2
InChIKeyOEVJLIRXBWWCDI-UHFFFAOYSA-N
XLogP3.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 29057023) is 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is Fc1ccccc1CC1CCN(Cc2nccs2)CC1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OEVJLIRXBWWCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c17-15-4-2-1-3-14(15)11-13-5-8-19(9-6-13)12-16-18-7-10-20-16/h1-4,7,10,13H,5-6,8-9,11-12H2.
What are the key properties of 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 290.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 29057023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).