1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C13H13NO2S — CID 55023762

IUPAC1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOc1ccccc1C(=O)Cc1nc(C)cs1
InChIInChI=1S/C13H13NO2S/c1-9-8-17-13(14-9)7-11(15)10-5-3-4-6-12(10)16-2/h3-6,8H,7H2,1-2H3
InChIKeyOAAKJLSAWVNZPD-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 55023762) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID55023762
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOc1ccccc1C(=O)Cc1nc(C)cs1
InChIInChI=1S/C13H13NO2S/c1-9-8-17-13(14-9)7-11(15)10-5-3-4-6-12(10)16-2/h3-6,8H,7H2,1-2H3
InChIKeyOAAKJLSAWVNZPD-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 115789182
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789307
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789277
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
CID 81220404
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 105120682

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 55023762) is 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is COc1ccccc1C(=O)Cc1nc(C)cs1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is OAAKJLSAWVNZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-8-17-13(14-9)7-11(15)10-5-3-4-6-12(10)16-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 247.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 55023762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).