3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole

C10H15FN2S — CID 131067883

IUPAC3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole
SMILESCC(F)(c1ccsn1)C1CCCCN1
InChIInChI=1S/C10H15FN2S/c1-10(11,9-5-7-14-13-9)8-4-2-3-6-12-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyUAAZBFSNTWAZRZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.47
Rot. Bonds2

About 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole

3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole (PubChem CID 131067883) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole
PubChem CID131067883
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole
SMILESCC(F)(c1ccsn1)C1CCCCN1
InChIInChI=1S/C10H15FN2S/c1-10(11,9-5-7-14-13-9)8-4-2-3-6-12-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyUAAZBFSNTWAZRZ-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole?
The IUPAC name of 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole (CID 131067883) is 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole.
What is the SMILES notation for 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole?
The canonical SMILES for 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole is CC(F)(c1ccsn1)C1CCCCN1.
What is the InChIKey of 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole?
The InChIKey is UAAZBFSNTWAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-10(11,9-5-7-14-13-9)8-4-2-3-6-12-8/h5,7-8,12H,2-4,6H2,1H3.
What are the key properties of 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole?
3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-1-piperidin-2-ylethyl)-1,2-thiazole is sourced from PubChem (CID 131067883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).