2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol

C9H9BrN2OS — CID 83904080

IUPAC2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol
SMILESNCC(O)c1cc2ncsc2cc1Br
InChIInChI=1S/C9H9BrN2OS/c10-6-2-9-7(12-4-14-9)1-5(6)8(13)3-11/h1-2,4,8,13H,3,11H2
InChIKeyASMIWGYQJLZILH-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.05
Rot. Bonds2

About 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol

2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol (PubChem CID 83904080) has the molecular formula C9H9BrN2OS and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol
PubChem CID83904080
Molecular FormulaC9H9BrN2OS
Molecular Weight273.15 g/mol
Exact Mass271.96
IUPAC Name2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol
SMILESNCC(O)c1cc2ncsc2cc1Br
InChIInChI=1S/C9H9BrN2OS/c10-6-2-9-7(12-4-14-9)1-5(6)8(13)3-11/h1-2,4,8,13H,3,11H2
InChIKeyASMIWGYQJLZILH-UHFFFAOYSA-N
XLogP2.05
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-chloro-1,3-benzothiazole
CID 162381468
2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 83903514
2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol
CID 58488163
5-ethoxy-6-methyl-1,3-benzothiazole
CID 22609016
2-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine
CID 83903664
3-(1,3-benzothiazol-6-yl)propan-1-amine
CID 69250616
[1,3]thiazolo[5,4-g]quinoxaline
CID 45077795
1,3-benzothiazol-6-ylmethanamine;hydrochloride
CID 133063605
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
1-(1,3-benzothiazol-6-yl)ethanol
CID 19045355
1-(1,3-benzothiazol-5-yl)ethanol
CID 45077207
2-amino-1-(7-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)ethanol
CID 117499316

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol (CID 83904080) is 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol is NCC(O)c1cc2ncsc2cc1Br.
What is the InChIKey of 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol?
The InChIKey is ASMIWGYQJLZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c10-6-2-9-7(12-4-14-9)1-5(6)8(13)3-11/h1-2,4,8,13H,3,11H2.
What are the key properties of 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol?
2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol has a molecular weight of 273.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol is sourced from PubChem (CID 83904080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).