2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol

C15H11BrFNOS — CID 66460480

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol
SMILESOC(Cc1nc2ccccc2s1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H11BrFNOS/c16-10-6-5-9(7-11(10)17)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7,13,19H,8H2
InChIKeyNSAXIDDFHKNPBQ-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.47
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol (PubChem CID 66460480) has the molecular formula C15H11BrFNOS and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol
PubChem CID66460480
Molecular FormulaC15H11BrFNOS
Molecular Weight352.23 g/mol
Exact Mass350.97
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol
SMILESOC(Cc1nc2ccccc2s1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H11BrFNOS/c16-10-6-5-9(7-11(10)17)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7,13,19H,8H2
InChIKeyNSAXIDDFHKNPBQ-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
2-(1,3-benzothiazol-2-yl)-1-(3-bromo-4-fluorophenyl)ethanamine
CID 82809666
2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79973010
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 110897730
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
CID 66461067
1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol
CID 82685328
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79819016
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
CID 79205491
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)propan-1-ol
CID 104632394
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
1-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol (CID 66460480) is 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol is OC(Cc1nc2ccccc2s1)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol?
The InChIKey is NSAXIDDFHKNPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNOS/c16-10-6-5-9(7-11(10)17)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7,13,19H,8H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol has a molecular weight of 352.23 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol is sourced from PubChem (CID 66460480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).