3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol

C10H7BrFNO2S — CID 155634824

IUPAC3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol
SMILESCc1cnc(Oc2cc(O)c(F)c(Br)c2)s1
InChIInChI=1S/C10H7BrFNO2S/c1-5-4-13-10(16-5)15-6-2-7(11)9(12)8(14)3-6/h2-4,14H,1H3
InChIKeyXHXFMESJAMQSKQ-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.85
Rot. Bonds2

About 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol

3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol (PubChem CID 155634824) has the molecular formula C10H7BrFNO2S and a molecular weight of 304.14 g/mol. Its IUPAC name is 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol.

Molecular Properties

Compound Name3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol
PubChem CID155634824
Molecular FormulaC10H7BrFNO2S
Molecular Weight304.14 g/mol
Exact Mass302.94
IUPAC Name3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol
SMILESCc1cnc(Oc2cc(O)c(F)c(Br)c2)s1
InChIInChI=1S/C10H7BrFNO2S/c1-5-4-13-10(16-5)15-6-2-7(11)9(12)8(14)3-6/h2-4,14H,1H3
InChIKeyXHXFMESJAMQSKQ-UHFFFAOYSA-N
XLogP3.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol?
The IUPAC name of 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol (CID 155634824) is 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol.
What is the SMILES notation for 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol?
The canonical SMILES for 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol is Cc1cnc(Oc2cc(O)c(F)c(Br)c2)s1.
What is the InChIKey of 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol?
The InChIKey is XHXFMESJAMQSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2S/c1-5-4-13-10(16-5)15-6-2-7(11)9(12)8(14)3-6/h2-4,14H,1H3.
What are the key properties of 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol?
3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol has a molecular weight of 304.14 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenol is sourced from PubChem (CID 155634824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).