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

C11H9BrFNOS — CID 122477189

IUPAC[2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCc1sc(-c2ccc(F)c(Br)c2)nc1CO
InChIInChI=1S/C11H9BrFNOS/c1-6-10(5-15)14-11(16-6)7-2-3-9(13)8(12)4-7/h2-4,15H,5H2,1H3
InChIKeyTUPIGQQJBBQHRU-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.51
Rot. Bonds2

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

[2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol (PubChem CID 122477189) has the molecular formula C11H9BrFNOS and a molecular weight of 302.17 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol
PubChem CID122477189
Molecular FormulaC11H9BrFNOS
Molecular Weight302.17 g/mol
Exact Mass300.96
IUPAC Name[2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCc1sc(-c2ccc(F)c(Br)c2)nc1CO
InChIInChI=1S/C11H9BrFNOS/c1-6-10(5-15)14-11(16-6)7-2-3-9(13)8(12)4-7/h2-4,15H,5H2,1H3
InChIKeyTUPIGQQJBBQHRU-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.51
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-methyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol (CID 122477189) is [2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol is Cc1sc(-c2ccc(F)c(Br)c2)nc1CO.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
The InChIKey is TUPIGQQJBBQHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNOS/c1-6-10(5-15)14-11(16-6)7-2-3-9(13)8(12)4-7/h2-4,15H,5H2,1H3.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
[2-(3-bromo-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol has a molecular weight of 302.17 g/mol, XLogP of 3.51, 2 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-methyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 122477189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).