1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone

C14H15NO2S — CID 82302284

IUPAC1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(COc2cc(C)ccc2C)n1
InChIInChI=1S/C14H15NO2S/c1-9-4-5-10(2)13(6-9)17-7-14-15-12(8-18-14)11(3)16/h4-6,8H,7H2,1-3H3
InChIKeyQELXSRPNOWZAKJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone

1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 82302284) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID82302284
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(COc2cc(C)ccc2C)n1
InChIInChI=1S/C14H15NO2S/c1-9-4-5-10(2)13(6-9)17-7-14-15-12(8-18-14)11(3)16/h4-6,8H,7H2,1-3H3
InChIKeyQELXSRPNOWZAKJ-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82295832
[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 82133754
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
2-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245210
[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 42835488
1-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82308939
1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82304946
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003298
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbothioamide
CID 82516151
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003308
N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003204

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone (CID 82302284) is 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(COc2cc(C)ccc2C)n1.
What is the InChIKey of 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is QELXSRPNOWZAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-4-5-10(2)13(6-9)17-7-14-15-12(8-18-14)11(3)16/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 82302284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).