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

C15H21N3OS — CID 63231458

IUPAC2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
SMILESNc1ccc2nc(N(CCO)C3CCCCC3)sc2c1
InChIInChI=1S/C15H21N3OS/c16-11-6-7-13-14(10-11)20-15(17-13)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9,16H2
InChIKeyZPBHVSOMTNPZCJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.01
Rot. Bonds4

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

2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol (PubChem CID 63231458) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
PubChem CID63231458
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
SMILESNc1ccc2nc(N(CCO)C3CCCCC3)sc2c1
InChIInChI=1S/C15H21N3OS/c16-11-6-7-13-14(10-11)20-15(17-13)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9,16H2
InChIKeyZPBHVSOMTNPZCJ-UHFFFAOYSA-N
XLogP3.01
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol (CID 63231458) is 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol is Nc1ccc2nc(N(CCO)C3CCCCC3)sc2c1.
What is the InChIKey of 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol?
The InChIKey is ZPBHVSOMTNPZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c16-11-6-7-13-14(10-11)20-15(17-13)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9,16H2.
What are the key properties of 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol?
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol has a molecular weight of 291.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 63231458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).