2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol

C14H19N3OS — CID 63231116

IUPAC2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol
SMILESNc1ccc2nc(N3CCCCC3CCO)sc2c1
InChIInChI=1S/C14H19N3OS/c15-10-4-5-12-13(9-10)19-14(16-12)17-7-2-1-3-11(17)6-8-18/h4-5,9,11,18H,1-3,6-8,15H2
InChIKeyNBJQQLQWCUBTEZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol

2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol (PubChem CID 63231116) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol
PubChem CID63231116
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol
SMILESNc1ccc2nc(N3CCCCC3CCO)sc2c1
InChIInChI=1S/C14H19N3OS/c15-10-4-5-12-13(9-10)19-14(16-12)17-7-2-1-3-11(17)6-8-18/h4-5,9,11,18H,1-3,6-8,15H2
InChIKeyNBJQQLQWCUBTEZ-UHFFFAOYSA-N
XLogP2.62
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-propylpiperidin-1-yl)-1,3-benzothiazol-6-amine
CID 83053118
2-(2-ethylazepan-1-yl)-1,3-benzothiazol-6-amine
CID 104688859
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine
CID 82747618
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
2-(2-pyridin-3-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-amine
CID 63231246
1-(6-amino-1,3-benzothiazol-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194538
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 114070518
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
CID 63231458
2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine
CID 65472254
8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763286
2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 63231244
2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine
CID 55173608

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol (CID 63231116) is 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol is Nc1ccc2nc(N3CCCCC3CCO)sc2c1.
What is the InChIKey of 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol?
The InChIKey is NBJQQLQWCUBTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-10-4-5-12-13(9-10)19-14(16-12)17-7-2-1-3-11(17)6-8-18/h4-5,9,11,18H,1-3,6-8,15H2.
What are the key properties of 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol?
2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol has a molecular weight of 277.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 63231116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).