2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid

C13H12FNO3S — CID 82154388

IUPAC2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCOc2cccc(F)c2)n1
InChIInChI=1S/C13H12FNO3S/c14-9-2-1-3-11(6-9)18-5-4-12-15-10(8-19-12)7-13(16)17/h1-3,6,8H,4-5,7H2,(H,16,17)
InChIKeyCEUGJENAYQZSRC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.53
Rot. Bonds6

About 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82154388) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID82154388
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCOc2cccc(F)c2)n1
InChIInChI=1S/C13H12FNO3S/c14-9-2-1-3-11(6-9)18-5-4-12-15-10(8-19-12)7-13(16)17/h1-3,6,8H,4-5,7H2,(H,16,17)
InChIKeyCEUGJENAYQZSRC-UHFFFAOYSA-N
XLogP2.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43092953
2-[2-[2-(2,4,5-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82154399
2-[2-[4-(4-chlorophenoxy)butyl]-1,3-thiazol-4-yl]acetic acid
CID 82070583
2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 46741059
[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82516227
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
2-[2-[(3,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 83969637
2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745518

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 82154388) is 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CCOc2cccc(F)c2)n1.
What is the InChIKey of 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CEUGJENAYQZSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c14-9-2-1-3-11(6-9)18-5-4-12-15-10(8-19-12)7-13(16)17/h1-3,6,8H,4-5,7H2,(H,16,17).
What are the key properties of 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82154388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).