5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole

C20H21NO5S — CID 88882073

IUPAC5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole
SMILESCOOCc1c(OC)cc(-c2sncc2-c2ccc(OC)cc2)cc1OC
InChIInChI=1S/C20H21NO5S/c1-22-15-7-5-13(6-8-15)16-11-21-27-20(16)14-9-18(23-2)17(12-26-25-4)19(10-14)24-3/h5-11H,12H2,1-4H3
InChIKeyHQADZBSHOKALSJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.58
Rot. Bonds8

About 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole

5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole (PubChem CID 88882073) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole
PubChem CID88882073
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole
SMILESCOOCc1c(OC)cc(-c2sncc2-c2ccc(OC)cc2)cc1OC
InChIInChI=1S/C20H21NO5S/c1-22-15-7-5-13(6-8-15)16-11-21-27-20(16)14-9-18(23-2)17(12-26-25-4)19(10-14)24-3/h5-11H,12H2,1-4H3
InChIKeyHQADZBSHOKALSJ-UHFFFAOYSA-N
XLogP4.58
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole 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 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole?
The IUPAC name of 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole (CID 88882073) is 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole?
The canonical SMILES for 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole is COOCc1c(OC)cc(-c2sncc2-c2ccc(OC)cc2)cc1OC.
What is the InChIKey of 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole?
The InChIKey is HQADZBSHOKALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-22-15-7-5-13(6-8-15)16-11-21-27-20(16)14-9-18(23-2)17(12-26-25-4)19(10-14)24-3/h5-11H,12H2,1-4H3.
What are the key properties of 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole?
5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole has a molecular weight of 387.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 88882073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).