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

C9H13FN2S — CID 130604818

IUPAC3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole
SMILESFC(c1ccsn1)C1CCNCC1
InChIInChI=1S/C9H13FN2S/c10-9(8-3-6-13-12-8)7-1-4-11-5-2-7/h3,6-7,9,11H,1-2,4-5H2
InChIKeyYPENWAGIBMALRX-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.15
Rot. Bonds2

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

3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole (PubChem CID 130604818) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole.

Molecular Properties

Compound Name3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole
PubChem CID130604818
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole
SMILESFC(c1ccsn1)C1CCNCC1
InChIInChI=1S/C9H13FN2S/c10-9(8-3-6-13-12-8)7-1-4-11-5-2-7/h3,6-7,9,11H,1-2,4-5H2
InChIKeyYPENWAGIBMALRX-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 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole?
The IUPAC name of 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole (CID 130604818) is 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole.
What is the SMILES notation for 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole?
The canonical SMILES for 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole is FC(c1ccsn1)C1CCNCC1.
What is the InChIKey of 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole?
The InChIKey is YPENWAGIBMALRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-9(8-3-6-13-12-8)7-1-4-11-5-2-7/h3,6-7,9,11H,1-2,4-5H2.
What are the key properties of 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole?
3-[fluoro(piperidin-4-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 3-[fluoro(piperidin-4-yl)methyl]-1,2-thiazole is sourced from PubChem (CID 130604818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).