2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone

C17H13NO2S — CID 90319731

IUPAC2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)c1nccs1
InChIInChI=1S/C17H13NO2S/c19-16(17-18-10-11-21-17)12-20-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyVWEGEVVUALSCKZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone

2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 90319731) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone
PubChem CID90319731
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)c1nccs1
InChIInChI=1S/C17H13NO2S/c19-16(17-18-10-11-21-17)12-20-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyVWEGEVVUALSCKZ-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone (CID 90319731) is 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone is O=C(COc1ccc(-c2ccccc2)cc1)c1nccs1.
What is the InChIKey of 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is VWEGEVVUALSCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-16(17-18-10-11-21-17)12-20-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone?
2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 295.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 90319731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).