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

C16H19NO2S — CID 82426991

IUPAC1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(COc2cc(C)cc(C)c2C)nc1C
InChIInChI=1S/C16H19NO2S/c1-9-6-10(2)11(3)14(7-9)19-8-15-17-12(4)16(20-15)13(5)18/h6-7H,8H2,1-5H3
InChIKeyRVXOHDQVECYUMV-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.16
Rot. Bonds4

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

1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82426991) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82426991
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(COc2cc(C)cc(C)c2C)nc1C
InChIInChI=1S/C16H19NO2S/c1-9-6-10(2)11(3)14(7-9)19-8-15-17-12(4)16(20-15)13(5)18/h6-7H,8H2,1-5H3
InChIKeyRVXOHDQVECYUMV-UHFFFAOYSA-N
XLogP4.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4980903
1-[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 94284215
4-methyl-2-[4-[(2,3,5-trimethylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid
CID 4980614
2-[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82424135
[4-(methoxymethyl)-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82441109
2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46741197
2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 46741195
2-[(2-ethoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980798
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581
N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158654
N-[(2S)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158655
2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole
CID 79764739

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone (CID 82426991) is 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(COc2cc(C)cc(C)c2C)nc1C.
What is the InChIKey of 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is RVXOHDQVECYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-9-6-10(2)11(3)14(7-9)19-8-15-17-12(4)16(20-15)13(5)18/h6-7H,8H2,1-5H3.
What are the key properties of 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 289.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82426991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).