5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole

C9H13FN2S — CID 130900890

IUPAC5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole
SMILESFC(c1ccns1)C1CCCNC1
InChIInChI=1S/C9H13FN2S/c10-9(8-3-5-12-13-8)7-2-1-4-11-6-7/h3,5,7,9,11H,1-2,4,6H2
InChIKeyKRUNZPJUGHYING-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.15
Rot. Bonds2

About 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole

5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole (PubChem CID 130900890) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole.

Molecular Properties

Compound Name5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole
PubChem CID130900890
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole
SMILESFC(c1ccns1)C1CCCNC1
InChIInChI=1S/C9H13FN2S/c10-9(8-3-5-12-13-8)7-2-1-4-11-6-7/h3,5,7,9,11H,1-2,4,6H2
InChIKeyKRUNZPJUGHYING-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole?
The IUPAC name of 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole (CID 130900890) is 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole.
What is the SMILES notation for 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole?
The canonical SMILES for 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole is FC(c1ccns1)C1CCCNC1.
What is the InChIKey of 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole?
The InChIKey is KRUNZPJUGHYING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-9(8-3-5-12-13-8)7-2-1-4-11-6-7/h3,5,7,9,11H,1-2,4,6H2.
What are the key properties of 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole?
5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(piperidin-3-yl)methyl]-1,2-thiazole is sourced from PubChem (CID 130900890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).