2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid

C11H7F3N2O3S — CID 107305806

IUPAC2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2nc(C(F)(F)F)ns2)c1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)9-15-10(20-16-9)19-7-3-1-2-6(4-7)5-8(17)18/h1-4H,5H2,(H,17,18)
InChIKeyCJTFWOBNAFQCTF-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.98
Rot. Bonds4

About 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid

2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid (PubChem CID 107305806) has the molecular formula C11H7F3N2O3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid
PubChem CID107305806
Molecular FormulaC11H7F3N2O3S
Molecular Weight304.25 g/mol
Exact Mass304.01
IUPAC Name2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2nc(C(F)(F)F)ns2)c1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)9-15-10(20-16-9)19-7-3-1-2-6(4-7)5-8(17)18/h1-4H,5H2,(H,17,18)
InChIKeyCJTFWOBNAFQCTF-UHFFFAOYSA-N
XLogP2.98
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid (CID 107305806) is 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2nc(C(F)(F)F)ns2)c1.
What is the InChIKey of 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid?
The InChIKey is CJTFWOBNAFQCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3S/c12-11(13,14)9-15-10(20-16-9)19-7-3-1-2-6(4-7)5-8(17)18/h1-4H,5H2,(H,17,18).
What are the key properties of 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid?
2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid has a molecular weight of 304.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetic acid is sourced from PubChem (CID 107305806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).