6-fluoro-3-piperidin-2-yl-1,2-benzothiazole

C12H13FN2S — CID 22066708

IUPAC6-fluoro-3-piperidin-2-yl-1,2-benzothiazole
SMILESFc1ccc2c(C3CCCCN3)nsc2c1
InChIInChI=1S/C12H13FN2S/c13-8-4-5-9-11(7-8)16-15-12(9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2
InChIKeyQBXKUTXPHDYRIP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.25
Rot. Bonds1

About 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole

6-fluoro-3-piperidin-2-yl-1,2-benzothiazole (PubChem CID 22066708) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole.

Molecular Properties

Compound Name6-fluoro-3-piperidin-2-yl-1,2-benzothiazole
PubChem CID22066708
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name6-fluoro-3-piperidin-2-yl-1,2-benzothiazole
SMILESFc1ccc2c(C3CCCCN3)nsc2c1
InChIInChI=1S/C12H13FN2S/c13-8-4-5-9-11(7-8)16-15-12(9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2
InChIKeyQBXKUTXPHDYRIP-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-methyl-2-piperidin-2-yl-1H-indole
CID 84627006
3,5-difluoro-2-[(2R)-piperidin-2-yl]pyridine
CID 130748594
6-fluoro-3-(1-methylazetidin-3-yl)-1,2-benzothiazole
CID 171510237
3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole
CID 173320165
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
(2R)-2-(4-fluoro-2-nitrophenyl)piperidine;hydrochloride
CID 171195482
2-fluoro-5-[(2S)-piperidin-2-yl]pyridine
CID 55277900
(2R)-2-(5-methylthiophen-2-yl)piperidine
CID 7048171
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole?
The IUPAC name of 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole (CID 22066708) is 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole.
What is the SMILES notation for 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole?
The canonical SMILES for 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole is Fc1ccc2c(C3CCCCN3)nsc2c1.
What is the InChIKey of 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole?
The InChIKey is QBXKUTXPHDYRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-8-4-5-9-11(7-8)16-15-12(9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2.
What are the key properties of 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole?
6-fluoro-3-piperidin-2-yl-1,2-benzothiazole has a molecular weight of 236.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-piperidin-2-yl-1,2-benzothiazole is sourced from PubChem (CID 22066708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).