2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole

C20H21FN2OS — CID 95567776

IUPAC2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole
SMILESFc1ccccc1OCCN1CCCC[C@@H]1c1nc2ccccc2s1
InChIInChI=1S/C20H21FN2OS/c21-15-7-1-3-10-18(15)24-14-13-23-12-6-5-9-17(23)20-22-16-8-2-4-11-19(16)25-20/h1-4,7-8,10-11,17H,5-6,9,12-14H2/t17-/m1/s1
InChIKeyHRRWAYQWNKXJQD-QGZVFWFLSA-N
MW356.47 g/mol
LogP5.04
Rot. Bonds5

About 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole

2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole (PubChem CID 95567776) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole
PubChem CID95567776
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole
SMILESFc1ccccc1OCCN1CCCC[C@@H]1c1nc2ccccc2s1
InChIInChI=1S/C20H21FN2OS/c21-15-7-1-3-10-18(15)24-14-13-23-12-6-5-9-17(23)20-22-16-8-2-4-11-19(16)25-20/h1-4,7-8,10-11,17H,5-6,9,12-14H2/t17-/m1/s1
InChIKeyHRRWAYQWNKXJQD-QGZVFWFLSA-N
XLogP5.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 40815012
1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 55595656
(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine
CID 100705115
3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propanenitrile
CID 26607611
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9135130
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-1-ol
CID 110931453
(1S)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 98786253
(1R)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 94380485
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 9135313
5-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 78842488
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78790074
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 9135150

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole (CID 95567776) is 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole is Fc1ccccc1OCCN1CCCC[C@@H]1c1nc2ccccc2s1.
What is the InChIKey of 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole?
The InChIKey is HRRWAYQWNKXJQD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN2OS/c21-15-7-1-3-10-18(15)24-14-13-23-12-6-5-9-17(23)20-22-16-8-2-4-11-19(16)25-20/h1-4,7-8,10-11,17H,5-6,9,12-14H2/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole?
2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole has a molecular weight of 356.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 95567776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).