[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate

C23H25NO3S — CID 7235569

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
SMILESCOc1ccc(-c2nc(COC(=O)c3c(C)c(C)c(C)c(C)c3C)cs2)cc1
InChIInChI=1S/C23H25NO3S/c1-13-14(2)16(4)21(17(5)15(13)3)23(25)27-11-19-12-28-22(24-19)18-7-9-20(26-6)10-8-18/h7-10,12H,11H2,1-6H3
InChIKeyJULYSUBYZCGOAR-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.72
Rot. Bonds5

About [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate (PubChem CID 7235569) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
PubChem CID7235569
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
SMILESCOc1ccc(-c2nc(COC(=O)c3c(C)c(C)c(C)c(C)c3C)cs2)cc1
InChIInChI=1S/C23H25NO3S/c1-13-14(2)16(4)21(17(5)15(13)3)23(25)27-11-19-12-28-22(24-19)18-7-9-20(26-6)10-8-18/h7-10,12H,11H2,1-6H3
InChIKeyJULYSUBYZCGOAR-UHFFFAOYSA-N
XLogP5.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate 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

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235380
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195959
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509270
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46545324
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813125
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-benzofuran-2-carboxylate
CID 7194143
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186993
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-3-nitrobenzoate
CID 7795094
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527252
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(dimethylamino)benzoate
CID 7667639
(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55570949

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate (CID 7235569) is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate is COc1ccc(-c2nc(COC(=O)c3c(C)c(C)c(C)c(C)c3C)cs2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate?
The InChIKey is JULYSUBYZCGOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-13-14(2)16(4)21(17(5)15(13)3)23(25)27-11-19-12-28-22(24-19)18-7-9-20(26-6)10-8-18/h7-10,12H,11H2,1-6H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate?
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate has a molecular weight of 395.52 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate is sourced from PubChem (CID 7235569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).