4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole

C13H15NO2S — CID 66057136

IUPAC4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C13H15NO2S/c1-9-5-4-6-10(7-9)12-14-11(8-17-12)13(15-2)16-3/h4-8,13H,1-3H3
InChIKeyHZZYTDYFCVFNEV-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.41
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole (PubChem CID 66057136) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
PubChem CID66057136
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C13H15NO2S/c1-9-5-4-6-10(7-9)12-14-11(8-17-12)13(15-2)16-3/h4-8,13H,1-3H3
InChIKeyHZZYTDYFCVFNEV-UHFFFAOYSA-N
XLogP3.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]butanenitrile
CID 116891536
ethyl (3S)-3-hydroxy-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanoate
CID 102139994
4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889074
4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 114016215
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole
CID 81274426
4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
CID 66054356
2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 114884550
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
2-(2-bromo-4-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 107280422
(2,4-dichlorophenyl) 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 16561708
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole (CID 66057136) is 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole is COC(OC)c1csc(-c2cccc(C)c2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole?
The InChIKey is HZZYTDYFCVFNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-5-4-6-10(7-9)12-14-11(8-17-12)13(15-2)16-3/h4-8,13H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole has a molecular weight of 249.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 66057136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).