1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone

C13H13NO2S — CID 115786541

IUPAC1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCOc1ccc(C)cc1C(=O)Cc1nccs1
InChIInChI=1S/C13H13NO2S/c1-9-3-4-12(16-2)10(7-9)11(15)8-13-14-5-6-17-13/h3-7H,8H2,1-2H3
InChIKeyMRWRTPOVAYYKIP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone

1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 115786541) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID115786541
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCOc1ccc(C)cc1C(=O)Cc1nccs1
InChIInChI=1S/C13H13NO2S/c1-9-3-4-12(16-2)10(7-9)11(15)8-13-14-5-6-17-13/h3-7H,8H2,1-2H3
InChIKeyMRWRTPOVAYYKIP-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

Analyze 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
CID 62504742
1-(2-methoxy-5-methylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 18139006
1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 105118017
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715765
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786506
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 62504743
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1-[4-methyl-2-(3-methylbut-2-enoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541142

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone (CID 115786541) is 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone is COc1ccc(C)cc1C(=O)Cc1nccs1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is MRWRTPOVAYYKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-3-4-12(16-2)10(7-9)11(15)8-13-14-5-6-17-13/h3-7H,8H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(2-methoxy-5-methylphenyl)-2-(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-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 115786541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).