2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole

C16H22N2S — CID 117439012

IUPAC2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole
SMILESCC(C)(C)c1nc2ccc(C3CCCNC3)cc2s1
InChIInChI=1S/C16H22N2S/c1-16(2,3)15-18-13-7-6-11(9-14(13)19-15)12-5-4-8-17-10-12/h6-7,9,12,17H,4-5,8,10H2,1-3H3
InChIKeyOHYOLGFFAINOKL-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.06
Rot. Bonds1

About 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole

2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole (PubChem CID 117439012) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole
PubChem CID117439012
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole
SMILESCC(C)(C)c1nc2ccc(C3CCCNC3)cc2s1
InChIInChI=1S/C16H22N2S/c1-16(2,3)15-18-13-7-6-11(9-14(13)19-15)12-5-4-8-17-10-12/h6-7,9,12,17H,4-5,8,10H2,1-3H3
InChIKeyOHYOLGFFAINOKL-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine
CID 117443118
3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine
CID 117366317
3-(4-tert-butylphenyl)piperidine
CID 24904200
6-chloro-2-piperidin-3-yl-1,3-benzothiazole
CID 79528193
2-tert-butyl-6-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-1,3-benzothiazole;hydrochloride
CID 120719372
N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 119317985
2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid
CID 165354987
2-tert-butyl-5-piperidin-3-ylpyridine
CID 134595467
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
2-ethyl-7-piperidin-3-ylquinoline
CID 10421780
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole?
The IUPAC name of 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole (CID 117439012) is 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole.
What is the SMILES notation for 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole?
The canonical SMILES for 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole is CC(C)(C)c1nc2ccc(C3CCCNC3)cc2s1.
What is the InChIKey of 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole?
The InChIKey is OHYOLGFFAINOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-16(2,3)15-18-13-7-6-11(9-14(13)19-15)12-5-4-8-17-10-12/h6-7,9,12,17H,4-5,8,10H2,1-3H3.
What are the key properties of 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole?
2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole has a molecular weight of 274.43 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole is sourced from PubChem (CID 117439012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).