2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol

C12H11BrFNOS — CID 113451254

IUPAC2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(O)Cc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H11BrFNOS/c1-7-6-17-12(15-7)11(16)5-8-4-9(14)2-3-10(8)13/h2-4,6,11,16H,5H2,1H3
InChIKeyCFRXZDPTEYYYLG-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.63
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol

2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 113451254) has the molecular formula C12H11BrFNOS and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID113451254
Molecular FormulaC12H11BrFNOS
Molecular Weight316.20 g/mol
Exact Mass314.97
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(O)Cc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H11BrFNOS/c1-7-6-17-12(15-7)11(16)5-8-4-9(14)2-3-10(8)13/h2-4,6,11,16H,5H2,1H3
InChIKeyCFRXZDPTEYYYLG-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105088408
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 114852713
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527
2-(4-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769420
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 65150812
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105088383
1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799862
2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148021
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113451251
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105088376

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 113451254) is 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc(C(O)Cc2cc(F)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is CFRXZDPTEYYYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-7-6-17-12(15-7)11(16)5-8-4-9(14)2-3-10(8)13/h2-4,6,11,16H,5H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 316.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 113451254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).