2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid

C11H9NO3S — CID 12785127

IUPAC2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C11H9NO3S/c13-10(14)7-8-1-3-9(4-2-8)15-11-12-5-6-16-11/h1-6H,7H2,(H,13,14)
InChIKeyQPUCJXWUVCISEC-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.56
Rot. Bonds4

About 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid

2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid (PubChem CID 12785127) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid
PubChem CID12785127
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C11H9NO3S/c13-10(14)7-8-1-3-9(4-2-8)15-11-12-5-6-16-11/h1-6H,7H2,(H,13,14)
InChIKeyQPUCJXWUVCISEC-UHFFFAOYSA-N
XLogP2.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid (CID 12785127) is 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid is O=C(O)Cc1ccc(Oc2nccs2)cc1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid?
The InChIKey is QPUCJXWUVCISEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-10(14)7-8-1-3-9(4-2-8)15-11-12-5-6-16-11/h1-6H,7H2,(H,13,14).
What are the key properties of 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid?
2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid has a molecular weight of 235.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 12785127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).