1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone

C17H13NO2S — CID 62652088

IUPAC1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C17H13NO2S/c1-12(19)16-11-18-17(21-16)13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-11H,1H3
InChIKeyXDOJFHAHAVYBLN-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.80
Rot. Bonds4

About 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone

1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 62652088) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID62652088
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C17H13NO2S/c1-12(19)16-11-18-17(21-16)13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-11H,1H3
InChIKeyXDOJFHAHAVYBLN-UHFFFAOYSA-N
XLogP4.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652441
1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 115568074
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]ethanone
CID 55102198
5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 4616762
N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 116811791
1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652991
N-[4-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
CID 155549224
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
CID 130848604
ethyl 2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 54007539
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane
CID 143027008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone (CID 62652088) is 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2cccc(Oc3ccccc3)c2)s1.
What is the InChIKey of 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is XDOJFHAHAVYBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-12(19)16-11-18-17(21-16)13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-11H,1H3.
What are the key properties of 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 295.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62652088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).