3-(3-fluoropiperidin-3-yl)-1,2-thiazole

C8H11FN2S — CID 130692014

IUPAC3-(3-fluoropiperidin-3-yl)-1,2-thiazole
SMILESFC1(c2ccsn2)CCCNC1
InChIInChI=1S/C8H11FN2S/c9-8(3-1-4-10-6-8)7-2-5-12-11-7/h2,5,10H,1,3-4,6H2
InChIKeyZYYOVISGUPHMAI-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.69
Rot. Bonds1

About 3-(3-fluoropiperidin-3-yl)-1,2-thiazole

3-(3-fluoropiperidin-3-yl)-1,2-thiazole (PubChem CID 130692014) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(3-fluoropiperidin-3-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(3-fluoropiperidin-3-yl)-1,2-thiazole
PubChem CID130692014
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC Name3-(3-fluoropiperidin-3-yl)-1,2-thiazole
SMILESFC1(c2ccsn2)CCCNC1
InChIInChI=1S/C8H11FN2S/c9-8(3-1-4-10-6-8)7-2-5-12-11-7/h2,5,10H,1,3-4,6H2
InChIKeyZYYOVISGUPHMAI-UHFFFAOYSA-N
XLogP1.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropiperidin-3-yl)-1,2-thiazole?
The IUPAC name of 3-(3-fluoropiperidin-3-yl)-1,2-thiazole (CID 130692014) is 3-(3-fluoropiperidin-3-yl)-1,2-thiazole.
What is the SMILES notation for 3-(3-fluoropiperidin-3-yl)-1,2-thiazole?
The canonical SMILES for 3-(3-fluoropiperidin-3-yl)-1,2-thiazole is FC1(c2ccsn2)CCCNC1.
What is the InChIKey of 3-(3-fluoropiperidin-3-yl)-1,2-thiazole?
The InChIKey is ZYYOVISGUPHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c9-8(3-1-4-10-6-8)7-2-5-12-11-7/h2,5,10H,1,3-4,6H2.
What are the key properties of 3-(3-fluoropiperidin-3-yl)-1,2-thiazole?
3-(3-fluoropiperidin-3-yl)-1,2-thiazole has a molecular weight of 186.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropiperidin-3-yl)-1,2-thiazole is sourced from PubChem (CID 130692014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).