methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate

C21H21NO6S — CID 25030257

IUPACmethyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate
SMILESCOC(=O)c1cc(-c2csnc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C21H21NO6S/c1-24-16-7-6-12(8-14(16)21(23)28-5)15-11-29-22-19(15)13-9-17(25-2)20(27-4)18(10-13)26-3/h6-11H,1-5H3
InChIKeyJUYAFKPAMYFRDS-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.30
Rot. Bonds7

About methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate

methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate (PubChem CID 25030257) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate
PubChem CID25030257
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC Namemethyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate
SMILESCOC(=O)c1cc(-c2csnc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C21H21NO6S/c1-24-16-7-6-12(8-14(16)21(23)28-5)15-11-29-22-19(15)13-9-17(25-2)20(27-4)18(10-13)26-3/h6-11H,1-5H3
InChIKeyJUYAFKPAMYFRDS-UHFFFAOYSA-N
XLogP4.30
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate (CID 25030257) is methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate is COC(=O)c1cc(-c2csnc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate?
The InChIKey is JUYAFKPAMYFRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-24-16-7-6-12(8-14(16)21(23)28-5)15-11-29-22-19(15)13-9-17(25-2)20(27-4)18(10-13)26-3/h6-11H,1-5H3.
What are the key properties of methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate?
methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate has a molecular weight of 415.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate is sourced from PubChem (CID 25030257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).