6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole

C15H20N2O2S — CID 164640107

IUPAC6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
SMILESCOc1ccc2nc(CN3CCC[C@H](OC)C3)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-18-11-5-6-13-14(8-11)20-15(16-13)10-17-7-3-4-12(9-17)19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyPAYOBARLXLBBTE-LBPRGKRZSA-N
MW292.40 g/mol
LogP2.92
Rot. Bonds4

About 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole

6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole (PubChem CID 164640107) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
PubChem CID164640107
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
SMILESCOc1ccc2nc(CN3CCC[C@H](OC)C3)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-18-11-5-6-13-14(8-11)20-15(16-13)10-17-7-3-4-12(9-17)19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyPAYOBARLXLBBTE-LBPRGKRZSA-N
XLogP2.92
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
CID 120845980
1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120968147
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841920
6-methoxy-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120834995
N-ethyl-2,2,2-trifluoro-N-[[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 126778728
6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 79511835
methyl (3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxylate
CID 79047230
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738
6-[(3-methoxypiperidin-1-yl)methyl]-2-methylquinoline
CID 126778484

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole (CID 164640107) is 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole is COc1ccc2nc(CN3CCC[C@H](OC)C3)sc2c1.
What is the InChIKey of 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole?
The InChIKey is PAYOBARLXLBBTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-18-11-5-6-13-14(8-11)20-15(16-13)10-17-7-3-4-12(9-17)19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole?
6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole has a molecular weight of 292.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole is sourced from PubChem (CID 164640107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).