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

C12H11BrFNOS — CID 66426234

IUPAC1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc(F)cc(Br)c2)cs1
InChIInChI=1S/C12H11BrFNOS/c1-7-15-11(6-17-7)5-12(16)8-2-9(13)4-10(14)3-8/h2-4,6,12,16H,5H2,1H3
InChIKeyICKKMZSEMZZIBB-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.63
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 66426234) has the molecular formula C12H11BrFNOS and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID66426234
Molecular FormulaC12H11BrFNOS
Molecular Weight316.20 g/mol
Exact Mass314.97
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc(F)cc(Br)c2)cs1
InChIInChI=1S/C12H11BrFNOS/c1-7-15-11(6-17-7)5-12(16)8-2-9(13)4-10(14)3-8/h2-4,6,12,16H,5H2,1H3
InChIKeyICKKMZSEMZZIBB-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 66426234) is 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2cc(F)cc(Br)c2)cs1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is ICKKMZSEMZZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-7-15-11(6-17-7)5-12(16)8-2-9(13)4-10(14)3-8/h2-4,6,12,16H,5H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-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 1-(3-bromo-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 66426234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).