2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride

C14H16ClFN2OS — CID 162211445

IUPAC2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1nc2c(F)cccc2s1)[C@@H]1CCCCN1
InChIInChI=1S/C14H15FN2OS.ClH/c15-9-4-3-6-12-14(9)17-13(19-12)8-11(18)10-5-1-2-7-16-10;/h3-4,6,10,16H,1-2,5,7-8H2;1H/t10-;/m0./s1
InChIKeyPUVOAMXFCZYADI-PPHPATTJSA-N
MW314.81 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride

2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride (PubChem CID 162211445) has the molecular formula C14H16ClFN2OS and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
PubChem CID162211445
Molecular FormulaC14H16ClFN2OS
Molecular Weight314.81 g/mol
Exact Mass314.07
IUPAC Name2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1nc2c(F)cccc2s1)[C@@H]1CCCCN1
InChIInChI=1S/C14H15FN2OS.ClH/c15-9-4-3-6-12-14(9)17-13(19-12)8-11(18)10-5-1-2-7-16-10;/h3-4,6,10,16H,1-2,5,7-8H2;1H/t10-;/m0./s1
InChIKeyPUVOAMXFCZYADI-PPHPATTJSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-azetidin-2-yl]-2-(4-fluoro-1,3-benzothiazol-2-yl)ethanone;hydrochloride
CID 160899448
(2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 89044415
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433
2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 161305549
4-fluoro-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84628386
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
4-bromo-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84645389

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride (CID 162211445) is 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride is Cl.O=C(Cc1nc2c(F)cccc2s1)[C@@H]1CCCCN1.
What is the InChIKey of 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The InChIKey is PUVOAMXFCZYADI-PPHPATTJSA-N. The full InChI is InChI=1S/C14H15FN2OS.ClH/c15-9-4-3-6-12-14(9)17-13(19-12)8-11(18)10-5-1-2-7-16-10;/h3-4,6,10,16H,1-2,5,7-8H2;1H/t10-;/m0./s1.
What are the key properties of 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 162211445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).