4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole

C20H21NO2S — CID 52794423

IUPAC4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CCc3ccccc3)sc2C)cc1OC
InChIInChI=1S/C20H21NO2S/c1-14-20(16-10-11-17(22-2)18(13-16)23-3)21-19(24-14)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3
InChIKeyZSEHTDKUUHASFA-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.92
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole

4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole (PubChem CID 52794423) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
PubChem CID52794423
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CCc3ccccc3)sc2C)cc1OC
InChIInChI=1S/C20H21NO2S/c1-14-20(16-10-11-17(22-2)18(13-16)23-3)21-19(24-14)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3
InChIKeyZSEHTDKUUHASFA-UHFFFAOYSA-N
XLogP4.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

O-[2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39403548
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 60603319
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 52882687
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867830
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
N-[[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53271955

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole (CID 52794423) is 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole is COc1ccc(-c2nc(CCc3ccccc3)sc2C)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole?
The InChIKey is ZSEHTDKUUHASFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-14-20(16-10-11-17(22-2)18(13-16)23-3)21-19(24-14)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole?
4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole has a molecular weight of 339.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole is sourced from PubChem (CID 52794423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).