2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole

C16H22N2S — CID 117439016

IUPAC2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole
SMILESCC(C)(C)c1nc2c(C3CCCCN3)cccc2s1
InChIInChI=1S/C16H22N2S/c1-16(2,3)15-18-14-11(7-6-9-13(14)19-15)12-8-4-5-10-17-12/h6-7,9,12,17H,4-5,8,10H2,1-3H3
InChIKeyQELZMBKPPRZZID-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.41
Rot. Bonds1

About 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole

2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole (PubChem CID 117439016) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole
PubChem CID117439016
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole
SMILESCC(C)(C)c1nc2c(C3CCCCN3)cccc2s1
InChIInChI=1S/C16H22N2S/c1-16(2,3)15-18-14-11(7-6-9-13(14)19-15)12-8-4-5-10-17-12/h6-7,9,12,17H,4-5,8,10H2,1-3H3
InChIKeyQELZMBKPPRZZID-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole
CID 117405777
2-naphthalen-1-ylpiperidine
CID 4209523
(2S)-2-naphthalen-1-ylazepane
CID 7048283
2-(1-benzothiophen-4-yl)pyrrolidine
CID 130002053
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
2-(1-benzothiophen-3-yl)piperidine
CID 4538625
S-(2-tert-butyl-1,3-benzothiazol-4-yl)thiohydroxylamine
CID 54163546
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
N-[(2-tert-butyl-1,3-benzothiazol-4-yl)methyl]hydroxylamine
CID 117345456

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole?
The IUPAC name of 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole (CID 117439016) is 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole?
The canonical SMILES for 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole is CC(C)(C)c1nc2c(C3CCCCN3)cccc2s1.
What is the InChIKey of 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole?
The InChIKey is QELZMBKPPRZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-16(2,3)15-18-14-11(7-6-9-13(14)19-15)12-8-4-5-10-17-12/h6-7,9,12,17H,4-5,8,10H2,1-3H3.
What are the key properties of 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole?
2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole has a molecular weight of 274.43 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 117439016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).