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

C16H19NO3S — CID 82440517

IUPAC1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(COc2ccc(C)c(C)c2)sc1C(C)=O
InChIInChI=1S/C16H19NO3S/c1-10-5-6-13(7-11(10)2)20-9-15-17-14(8-19-4)16(21-15)12(3)18/h5-7H,8-9H2,1-4H3
InChIKeyOVZDEYWDNHCHJG-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.69
Rot. Bonds6

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

1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82440517) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82440517
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(COc2ccc(C)c(C)c2)sc1C(C)=O
InChIInChI=1S/C16H19NO3S/c1-10-5-6-13(7-11(10)2)20-9-15-17-14(8-19-4)16(21-15)12(3)18/h5-7H,8-9H2,1-4H3
InChIKeyOVZDEYWDNHCHJG-UHFFFAOYSA-N
XLogP3.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50746403
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580
2-[(3,4-dimethylphenoxy)methyl]-4-methyl-N-[(1S)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 97047072
1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82440757
1-[4-ethyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428810
2-[(3,4-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50746395
2-[(3,4-dimethylphenoxy)methyl]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 50746443
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42837395
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone (CID 82440517) is 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone is COCc1nc(COc2ccc(C)c(C)c2)sc1C(C)=O.
What is the InChIKey of 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is OVZDEYWDNHCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-10-5-6-13(7-11(10)2)20-9-15-17-14(8-19-4)16(21-15)12(3)18/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 305.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82440517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).