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

C14H19N3OS — CID 120845980

IUPAC(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
SMILESCOc1ccc2nc(CN3CCC[C@@H](N)C3)sc2c1
InChIInChI=1S/C14H19N3OS/c1-18-11-4-5-12-13(7-11)19-14(16-12)9-17-6-2-3-10(15)8-17/h4-5,7,10H,2-3,6,8-9,15H2,1H3/t10-/m1/s1
InChIKeyFUSHUCGAVJOGKU-SNVBAGLBSA-N
MW277.39 g/mol
LogP2.23
Rot. Bonds3

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

(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine (PubChem CID 120845980) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
PubChem CID120845980
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
SMILESCOc1ccc2nc(CN3CCC[C@@H](N)C3)sc2c1
InChIInChI=1S/C14H19N3OS/c1-18-11-4-5-12-13(7-11)19-14(16-12)9-17-6-2-3-10(15)8-17/h4-5,7,10H,2-3,6,8-9,15H2,1H3/t10-/m1/s1
InChIKeyFUSHUCGAVJOGKU-SNVBAGLBSA-N
XLogP2.23
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
CID 164640107
1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841920
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120968147
(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120845998
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
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 79511835
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine (CID 120845980) is (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine is COc1ccc2nc(CN3CCC[C@@H](N)C3)sc2c1.
What is the InChIKey of (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine?
The InChIKey is FUSHUCGAVJOGKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-18-11-4-5-12-13(7-11)19-14(16-12)9-17-6-2-3-10(15)8-17/h4-5,7,10H,2-3,6,8-9,15H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine?
(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine has a molecular weight of 277.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 120845980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).