2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole

C13H15NO2S — CID 119084444

IUPAC2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(C(OC)c2nc(C)cs2)cc1
InChIInChI=1S/C13H15NO2S/c1-9-8-17-13(14-9)12(16-3)10-4-6-11(15-2)7-5-10/h4-8,12H,1-3H3
InChIKeyHUJKQHKGZMFLIX-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.20
Rot. Bonds4

About 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole

2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole (PubChem CID 119084444) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole
PubChem CID119084444
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(C(OC)c2nc(C)cs2)cc1
InChIInChI=1S/C13H15NO2S/c1-9-8-17-13(14-9)12(16-3)10-4-6-11(15-2)7-5-10/h4-8,12H,1-3H3
InChIKeyHUJKQHKGZMFLIX-UHFFFAOYSA-N
XLogP3.20
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole 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-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104771159
3-(4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 47179992
1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64650382
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032607
2-[methoxy(phenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 116744399
1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 114937719
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
N-[4-cyano-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-3-oxobutyl]acetamide
CID 86981823
5-methoxy-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63089655
N-[(6-methoxy-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114937738
[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 113328486

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole (CID 119084444) is 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole is COc1ccc(C(OC)c2nc(C)cs2)cc1.
What is the InChIKey of 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is HUJKQHKGZMFLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-8-17-13(14-9)12(16-3)10-4-6-11(15-2)7-5-10/h4-8,12H,1-3H3.
What are the key properties of 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole?
2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 249.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 119084444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).