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

C16H19FN2S — CID 29151950

IUPAC4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccccc1CC1CCN(Cc2cscn2)CC1
InChIInChI=1S/C16H19FN2S/c17-16-4-2-1-3-14(16)9-13-5-7-19(8-6-13)10-15-11-20-12-18-15/h1-4,11-13H,5-10H2
InChIKeyAYXZUJKYIUGEDR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.74
Rot. Bonds4

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

4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 29151950) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID29151950
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccccc1CC1CCN(Cc2cscn2)CC1
InChIInChI=1S/C16H19FN2S/c17-16-4-2-1-3-14(16)9-13-5-7-19(8-6-13)10-15-11-20-12-18-15/h1-4,11-13H,5-10H2
InChIKeyAYXZUJKYIUGEDR-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 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 29151950) is 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is Fc1ccccc1CC1CCN(Cc2cscn2)CC1.
What is the InChIKey of 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AYXZUJKYIUGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c17-16-4-2-1-3-14(16)9-13-5-7-19(8-6-13)10-15-11-20-12-18-15/h1-4,11-13H,5-10H2.
What are the key properties of 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[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 4-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 29151950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).