5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol

C11H10FNO2S — CID 142639753

IUPAC5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol
SMILESCC(Oc1ccc(F)cc1O)c1cscn1
InChIInChI=1S/C11H10FNO2S/c1-7(9-5-16-6-13-9)15-11-3-2-8(12)4-10(11)14/h2-7,14H,1H3
InChIKeyHAIKQDSXMDVQSS-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.13
Rot. Bonds3

About 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol

5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol (PubChem CID 142639753) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol
PubChem CID142639753
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol
SMILESCC(Oc1ccc(F)cc1O)c1cscn1
InChIInChI=1S/C11H10FNO2S/c1-7(9-5-16-6-13-9)15-11-3-2-8(12)4-10(11)14/h2-7,14H,1H3
InChIKeyHAIKQDSXMDVQSS-UHFFFAOYSA-N
XLogP3.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol?
The IUPAC name of 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol (CID 142639753) is 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol?
The canonical SMILES for 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol is CC(Oc1ccc(F)cc1O)c1cscn1.
What is the InChIKey of 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol?
The InChIKey is HAIKQDSXMDVQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-7(9-5-16-6-13-9)15-11-3-2-8(12)4-10(11)14/h2-7,14H,1H3.
What are the key properties of 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol?
5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol has a molecular weight of 239.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol is sourced from PubChem (CID 142639753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).