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

C17H13NO3S — CID 54581774

IUPAC2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nccs2)cc1-c1ccccc1
InChIInChI=1S/C17H13NO3S/c19-16(20)11-21-15-7-6-13(17-18-8-9-22-17)10-14(15)12-4-2-1-3-5-12/h1-10H,11H2,(H,19,20)
InChIKeyHDZASNXPWCPDLU-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.94
Rot. Bonds5

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

2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid (PubChem CID 54581774) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid
PubChem CID54581774
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nccs2)cc1-c1ccccc1
InChIInChI=1S/C17H13NO3S/c19-16(20)11-21-15-7-6-13(17-18-8-9-22-17)10-14(15)12-4-2-1-3-5-12/h1-10H,11H2,(H,19,20)
InChIKeyHDZASNXPWCPDLU-UHFFFAOYSA-N
XLogP3.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid (CID 54581774) is 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2nccs2)cc1-c1ccccc1.
What is the InChIKey of 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid?
The InChIKey is HDZASNXPWCPDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-16(20)11-21-15-7-6-13(17-18-8-9-22-17)10-14(15)12-4-2-1-3-5-12/h1-10H,11H2,(H,19,20).
What are the key properties of 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid?
2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid has a molecular weight of 311.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-4-(1,3-thiazol-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 54581774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).