4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole

C17H19N3O3S — CID 56877204

IUPAC4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nccn2CCc2cscn2)c(OC)c1OC
InChIInChI=1S/C17H19N3O3S/c1-21-14-5-4-13(15(22-2)16(14)23-3)17-18-7-9-20(17)8-6-12-10-24-11-19-12/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeySBAUOVPQOZJWHI-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.28
Rot. Bonds7

About 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole

4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 56877204) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID56877204
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nccn2CCc2cscn2)c(OC)c1OC
InChIInChI=1S/C17H19N3O3S/c1-21-14-5-4-13(15(22-2)16(14)23-3)17-18-7-9-20(17)8-6-12-10-24-11-19-12/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeySBAUOVPQOZJWHI-UHFFFAOYSA-N
XLogP3.28
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-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

4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 155916480
4-(2,3,4-trimethoxyphenyl)-1,3-thiazole
CID 5239941
[4-[[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
CID 146038906
2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
CID 154924176
N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine
CID 91834710
4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154567633
2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid
CID 154570969
1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 106572554
5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine
CID 106538603
ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824460
[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
CID 60889742
2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole
CID 110538203

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole (CID 56877204) is 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole is COc1ccc(-c2nccn2CCc2cscn2)c(OC)c1OC.
What is the InChIKey of 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is SBAUOVPQOZJWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-21-14-5-4-13(15(22-2)16(14)23-3)17-18-7-9-20(17)8-6-12-10-24-11-19-12/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole?
4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 345.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 56877204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).