4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole

C13H15BrN2S — CID 84645394

IUPAC4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
SMILESCc1cc(Br)c2nc(C3CCCCN3)sc2c1
InChIInChI=1S/C13H15BrN2S/c1-8-6-9(14)12-11(7-8)17-13(16-12)10-4-2-3-5-15-10/h6-7,10,15H,2-5H2,1H3
InChIKeyMTCUVMKQKZYUBP-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.18
Rot. Bonds1

About 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole

4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole (PubChem CID 84645394) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
PubChem CID84645394
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
SMILESCc1cc(Br)c2nc(C3CCCCN3)sc2c1
InChIInChI=1S/C13H15BrN2S/c1-8-6-9(14)12-11(7-8)17-13(16-12)10-4-2-3-5-15-10/h6-7,10,15H,2-5H2,1H3
InChIKeyMTCUVMKQKZYUBP-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 55084812
6-chloro-2-piperidin-2-yl-1,3-benzothiazole
CID 79528887
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
3-bromo-5-methyl-2-piperidin-2-ylphenol
CID 84808995
(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175
4-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)aniline
CID 84645770
2-(2,5-dibromothiophen-3-yl)azepane
CID 107959791
2,5-dimethyl-4-piperidin-2-yl-1,3-thiazole
CID 82399301
(2S)-2-(4,5-dibromothiophen-2-yl)piperidine
CID 130690046
4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole
CID 62913340
5-bromo-4-methyl-2-[(2R)-piperidin-2-yl]pyridine
CID 130618198

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole?
The IUPAC name of 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole (CID 84645394) is 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole?
The canonical SMILES for 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole is Cc1cc(Br)c2nc(C3CCCCN3)sc2c1.
What is the InChIKey of 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole?
The InChIKey is MTCUVMKQKZYUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-6-9(14)12-11(7-8)17-13(16-12)10-4-2-3-5-15-10/h6-7,10,15H,2-5H2,1H3.
What are the key properties of 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole?
4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole has a molecular weight of 311.25 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 84645394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).