2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole

C20H21NO3S — CID 31264291

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3)sc2C)cc1
InChIInChI=1S/C20H21NO3S/c1-13-20(15-6-8-16(22-2)9-7-15)21-19(25-13)12-14-5-10-17(23-3)18(11-14)24-4/h5-11H,12H2,1-4H3
InChIKeyQWMCWAKAYVGGKY-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.74
Rot. Bonds6

About 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole

2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole (PubChem CID 31264291) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
PubChem CID31264291
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3)sc2C)cc1
InChIInChI=1S/C20H21NO3S/c1-13-20(15-6-8-16(22-2)9-7-15)21-19(25-13)12-14-5-10-17(23-3)18(11-14)24-4/h5-11H,12H2,1-4H3
InChIKeyQWMCWAKAYVGGKY-UHFFFAOYSA-N
XLogP4.74
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
O-[2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39403548
4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
CID 52794423
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
3-(3,4-dimethoxyphenyl)-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163918
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82425721
4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole
CID 79832407
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163851
6-[(3,4-dimethoxyphenyl)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 53338183
2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543228

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole (CID 31264291) is 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole is COc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3)sc2C)cc1.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The InChIKey is QWMCWAKAYVGGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-13-20(15-6-8-16(22-2)9-7-15)21-19(25-13)12-14-5-10-17(23-3)18(11-14)24-4/h5-11H,12H2,1-4H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole has a molecular weight of 355.46 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 31264291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).