4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole

C13H15NOS — CID 116967837

IUPAC4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCCc1cc(-c2csc(C)n2)ccc1OC
InChIInChI=1S/C13H15NOS/c1-4-10-7-11(5-6-13(10)15-3)12-8-16-9(2)14-12/h5-8H,4H2,1-3H3
InChIKeyISWGFXWBLLOBMK-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.69
Rot. Bonds3

About 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole

4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole (PubChem CID 116967837) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
PubChem CID116967837
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCCc1cc(-c2csc(C)n2)ccc1OC
InChIInChI=1S/C13H15NOS/c1-4-10-7-11(5-6-13(10)15-3)12-8-16-9(2)14-12/h5-8H,4H2,1-3H3
InChIKeyISWGFXWBLLOBMK-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486
[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]hydrazine
CID 15335263
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
N-benzyl-2-methoxy-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036299
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53036322
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974200
2-(3-ethyl-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886049
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
CID 97035954
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 53011342
3,4,5-trimethoxy-2-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]benzaldehyde
CID 87612977
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole (CID 116967837) is 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole is CCc1cc(-c2csc(C)n2)ccc1OC.
What is the InChIKey of 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The InChIKey is ISWGFXWBLLOBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-4-10-7-11(5-6-13(10)15-3)12-8-16-9(2)14-12/h5-8H,4H2,1-3H3.
What are the key properties of 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole?
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 116967837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).