2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid

C11H8ClNO3S — CID 83155571

IUPAC2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nc(Cl)cs2)cc1
InChIInChI=1S/C11H8ClNO3S/c12-9-6-17-11(13-9)16-8-3-1-7(2-4-8)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyJIEYAECTXFZVRX-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.22
Rot. Bonds4

About 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid

2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid (PubChem CID 83155571) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid
PubChem CID83155571
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nc(Cl)cs2)cc1
InChIInChI=1S/C11H8ClNO3S/c12-9-6-17-11(13-9)16-8-3-1-7(2-4-8)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyJIEYAECTXFZVRX-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid (CID 83155571) is 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid is O=C(O)Cc1ccc(Oc2nc(Cl)cs2)cc1.
What is the InChIKey of 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid?
The InChIKey is JIEYAECTXFZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c12-9-6-17-11(13-9)16-8-3-1-7(2-4-8)5-10(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid?
2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid has a molecular weight of 269.71 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid is sourced from PubChem (CID 83155571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).