[2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol

C12H11BrFNOS — CID 122476719

IUPAC[2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
SMILESCCc1sc(-c2ccc(F)c(Br)c2)nc1CO
InChIInChI=1S/C12H11BrFNOS/c1-2-11-10(6-16)15-12(17-11)7-3-4-9(14)8(13)5-7/h3-5,16H,2,6H2,1H3
InChIKeyOQCSTXVVTTVWKN-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.77
Rot. Bonds3

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

[2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol (PubChem CID 122476719) has the molecular formula C12H11BrFNOS and a molecular weight of 316.19 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
PubChem CID122476719
Molecular FormulaC12H11BrFNOS
Molecular Weight316.19 g/mol
Exact Mass314.97
IUPAC Name[2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
SMILESCCc1sc(-c2ccc(F)c(Br)c2)nc1CO
InChIInChI=1S/C12H11BrFNOS/c1-2-11-10(6-16)15-12(17-11)7-3-4-9(14)8(13)5-7/h3-5,16H,2,6H2,1H3
InChIKeyOQCSTXVVTTVWKN-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol (CID 122476719) is [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol is CCc1sc(-c2ccc(F)c(Br)c2)nc1CO.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol?
The InChIKey is OQCSTXVVTTVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-2-11-10(6-16)15-12(17-11)7-3-4-9(14)8(13)5-7/h3-5,16H,2,6H2,1H3.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol?
[2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol has a molecular weight of 316.19 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 122476719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).