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

C13H16N2S — CID 79147053

IUPAC4-methyl-2-piperidin-3-yl-1,3-benzothiazole
SMILESCc1cccc2sc(C3CCCNC3)nc12
InChIInChI=1S/C13H16N2S/c1-9-4-2-6-11-12(9)15-13(16-11)10-5-3-7-14-8-10/h2,4,6,10,14H,3,5,7-8H2,1H3
InChIKeyLYYARJAZYIZPBZ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.07
Rot. Bonds1

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

4-methyl-2-piperidin-3-yl-1,3-benzothiazole (PubChem CID 79147053) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-methyl-2-piperidin-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-methyl-2-piperidin-3-yl-1,3-benzothiazole
PubChem CID79147053
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-methyl-2-piperidin-3-yl-1,3-benzothiazole
SMILESCc1cccc2sc(C3CCCNC3)nc12
InChIInChI=1S/C13H16N2S/c1-9-4-2-6-11-12(9)15-13(16-11)10-5-3-7-14-8-10/h2,4,6,10,14H,3,5,7-8H2,1H3
InChIKeyLYYARJAZYIZPBZ-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 79146802
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 84638955
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
6-chloro-2-piperidin-3-yl-1,3-benzothiazole
CID 79528193
4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzothiazole
CID 79130324
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
5-methyl-2-piperidin-3-yl-4,5-dihydrobenzo[e][1,3]benzothiazole
CID 115419359
4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole
CID 82373398
ethane;3-(2-methylphenyl)piperidine
CID 144655647
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-3-yl-1,3-benzothiazole?
The IUPAC name of 4-methyl-2-piperidin-3-yl-1,3-benzothiazole (CID 79147053) is 4-methyl-2-piperidin-3-yl-1,3-benzothiazole.
What is the SMILES notation for 4-methyl-2-piperidin-3-yl-1,3-benzothiazole?
The canonical SMILES for 4-methyl-2-piperidin-3-yl-1,3-benzothiazole is Cc1cccc2sc(C3CCCNC3)nc12.
What is the InChIKey of 4-methyl-2-piperidin-3-yl-1,3-benzothiazole?
The InChIKey is LYYARJAZYIZPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-2-6-11-12(9)15-13(16-11)10-5-3-7-14-8-10/h2,4,6,10,14H,3,5,7-8H2,1H3.
What are the key properties of 4-methyl-2-piperidin-3-yl-1,3-benzothiazole?
4-methyl-2-piperidin-3-yl-1,3-benzothiazole has a molecular weight of 232.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-3-yl-1,3-benzothiazole is sourced from PubChem (CID 79147053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).