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

C9H9BrN2OS — CID 163760821

IUPAC1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
SMILESCC(O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C9H9BrN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-5,13H,1H3,(H,11,12)
InChIKeyLXZZUANNEUPCAI-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.81
Rot. Bonds2

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

1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol (PubChem CID 163760821) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
PubChem CID163760821
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
SMILESCC(O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C9H9BrN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-5,13H,1H3,(H,11,12)
InChIKeyLXZZUANNEUPCAI-UHFFFAOYSA-N
XLogP2.81
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-methylbutanamide
CID 106346324
6-bromo-N-(4-methylhexan-2-yl)-1,3-benzothiazol-2-amine
CID 79527837
2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103112246
6-bromo-N-(2,2,3-trimethylbutyl)-1,3-benzothiazol-2-amine
CID 114101102
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
(2S)-2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 28663164
5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 43306435
6-bromo-N-(4-methylpentyl)-1,3-benzothiazol-2-amine
CID 79527747
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79527738
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 17244664
6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 79528939

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol?
The IUPAC name of 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol (CID 163760821) is 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol.
What is the SMILES notation for 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol?
The canonical SMILES for 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol is CC(O)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol?
The InChIKey is LXZZUANNEUPCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-5,13H,1H3,(H,11,12).
What are the key properties of 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol?
1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol has a molecular weight of 273.16 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol is sourced from PubChem (CID 163760821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).