2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole

C19H19ClN2S — CID 171988061

IUPAC2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
SMILESClc1ccc2sc(N3CCC(Cc4ccccc4)CC3)nc2c1
InChIInChI=1S/C19H19ClN2S/c20-16-6-7-18-17(13-16)21-19(23-18)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2
InChIKeyFCHFGGBJYDWACY-UHFFFAOYSA-N
MW342.89 g/mol
LogP5.41
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole

2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole (PubChem CID 171988061) has the molecular formula C19H19ClN2S and a molecular weight of 342.89 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
PubChem CID171988061
Molecular FormulaC19H19ClN2S
Molecular Weight342.89 g/mol
Exact Mass342.10
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
SMILESClc1ccc2sc(N3CCC(Cc4ccccc4)CC3)nc2c1
InChIInChI=1S/C19H19ClN2S/c20-16-6-7-18-17(13-16)21-19(23-18)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2
InChIKeyFCHFGGBJYDWACY-UHFFFAOYSA-N
XLogP5.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.89
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
CID 174498305
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one
CID 90646627
N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine
CID 174571089
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
CID 20889717
[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 62779816
5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063233
2-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67274624
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
CID 2811136
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-3-chlorobenzamide
CID 121109215
4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
CID 15435628
6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
CID 25139391

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole (CID 171988061) is 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole is Clc1ccc2sc(N3CCC(Cc4ccccc4)CC3)nc2c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole?
The InChIKey is FCHFGGBJYDWACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2S/c20-16-6-7-18-17(13-16)21-19(23-18)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole?
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole has a molecular weight of 342.89 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole is sourced from PubChem (CID 171988061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).