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

C12H11BrFNOS — CID 82800636

IUPAC1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(F)c(Br)c2)sc1C(C)O
InChIInChI=1S/C12H11BrFNOS/c1-6-11(7(2)16)17-12(15-6)8-3-4-10(14)9(13)5-8/h3-5,7,16H,1-2H3
InChIKeyCZIXNHZXEFWBQF-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.07
Rot. Bonds2

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

1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 82800636) has the molecular formula C12H11BrFNOS and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID82800636
Molecular FormulaC12H11BrFNOS
Molecular Weight316.20 g/mol
Exact Mass314.97
IUPAC Name1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(F)c(Br)c2)sc1C(C)O
InChIInChI=1S/C12H11BrFNOS/c1-6-11(7(2)16)17-12(15-6)8-3-4-10(14)9(13)5-8/h3-5,7,16H,1-2H3
InChIKeyCZIXNHZXEFWBQF-UHFFFAOYSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 82800636) is 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2ccc(F)c(Br)c2)sc1C(C)O.
What is the InChIKey of 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is CZIXNHZXEFWBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-6-11(7(2)16)17-12(15-6)8-3-4-10(14)9(13)5-8/h3-5,7,16H,1-2H3.
What are the key properties of 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 316.20 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 82800636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).