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

C14H15NO2S — CID 82541050

IUPAC1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(C)cc1-c1nc(C)sc1C(C)=O
InChIInChI=1S/C14H15NO2S/c1-8-5-6-12(17-4)11(7-8)13-14(9(2)16)18-10(3)15-13/h5-7H,1-4H3
InChIKeyYZAMFEMKAKHDJN-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.64
Rot. Bonds3

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

1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 82541050) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID82541050
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(C)cc1-c1nc(C)sc1C(C)=O
InChIInChI=1S/C14H15NO2S/c1-8-5-6-12(17-4)11(7-8)13-14(9(2)16)18-10(3)15-13/h5-7H,1-4H3
InChIKeyYZAMFEMKAKHDJN-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
5-(2-chloroethyl)-4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazole
CID 28710063
2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82091190
1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone
CID 82128630
methyl (E)-3-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]but-2-enoate
CID 110447202
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82540986
2-(2-methoxy-5-methylphenyl)-5,6-dimethylpyridine-3-carboxamide
CID 77083473
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
CID 110447743
4-(2-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867410
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone (CID 82541050) is 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone is COc1ccc(C)cc1-c1nc(C)sc1C(C)=O.
What is the InChIKey of 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is YZAMFEMKAKHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-8-5-6-12(17-4)11(7-8)13-14(9(2)16)18-10(3)15-13/h5-7H,1-4H3.
What are the key properties of 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82541050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).