4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole

C15H20N2S — CID 117405777

IUPAC4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2c(C3CCCCN3)cccc2s1
InChIInChI=1S/C15H20N2S/c1-10(2)15-17-14-11(6-5-8-13(14)18-15)12-7-3-4-9-16-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3
InChIKeyNQNUKUUTZRWESR-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.23
Rot. Bonds2

About 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole

4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole (PubChem CID 117405777) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole
PubChem CID117405777
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2c(C3CCCCN3)cccc2s1
InChIInChI=1S/C15H20N2S/c1-10(2)15-17-14-11(6-5-8-13(14)18-15)12-7-3-4-9-16-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3
InChIKeyNQNUKUUTZRWESR-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-piperidin-2-yl-1,3-benzothiazole
CID 117439016
4-(piperidin-4-ylmethyl)-2-propan-2-yl-1,3-benzothiazole
CID 117439002
2-naphthalen-1-ylpiperidine
CID 4209523
(2S)-2-naphthalen-1-ylazepane
CID 7048283
2-(1-benzothiophen-4-yl)pyrrolidine
CID 130002053
(2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine
CID 141140391
(2S)-2-(2-methylsulfanylphenyl)piperidine
CID 7048099
2,4-di(propan-2-yl)-1,3-benzothiazole;thiohydroxylamine
CID 19850946
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
CID 102542304
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole (CID 117405777) is 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole is CC(C)c1nc2c(C3CCCCN3)cccc2s1.
What is the InChIKey of 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole?
The InChIKey is NQNUKUUTZRWESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10(2)15-17-14-11(6-5-8-13(14)18-15)12-7-3-4-9-16-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole?
4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole has a molecular weight of 260.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 117405777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).