1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride

C14H20ClN3OS — CID 120834481

IUPAC1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc2nc(CN3CCC(N)CC3)sc2c1.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-18-11-2-3-12-13(8-11)19-14(16-12)9-17-6-4-10(15)5-7-17;/h2-3,8,10H,4-7,9,15H2,1H3;1H
InChIKeyVDUJTRRJUMHAQX-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.65
Rot. Bonds3

About 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride

1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120834481) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120834481
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc2nc(CN3CCC(N)CC3)sc2c1.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-18-11-2-3-12-13(8-11)19-14(16-12)9-17-6-4-10(15)5-7-17;/h2-3,8,10H,4-7,9,15H2,1H3;1H
InChIKeyVDUJTRRJUMHAQX-UHFFFAOYSA-N
XLogP2.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.65
H-Bond Donors ≤ 51
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
6-methoxy-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120834995
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120968147
6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
CID 164640107
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841920
N-ethyl-2,2,2-trifluoro-N-[[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 126778728
6-ethoxy-2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 79518989
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 154862464
2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769521
1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847090

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride (CID 120834481) is 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride is COc1ccc2nc(CN3CCC(N)CC3)sc2c1.Cl.
What is the InChIKey of 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is VDUJTRRJUMHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.ClH/c1-18-11-2-3-12-13(8-11)19-14(16-12)9-17-6-4-10(15)5-7-17;/h2-3,8,10H,4-7,9,15H2,1H3;1H.
What are the key properties of 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride?
1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120834481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).