[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate

C20H19NO4S — CID 16523884

IUPAC[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCc1csc(-c2ccccc2OC)n1
InChIInChI=1S/C20H19NO4S/c1-3-24-18-11-7-5-9-16(18)20(22)25-12-14-13-26-19(21-14)15-8-4-6-10-17(15)23-2/h4-11,13H,3,12H2,1-2H3
InChIKeyYUVIFIOSGCYYOR-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.57
Rot. Bonds7

About [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate (PubChem CID 16523884) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
PubChem CID16523884
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCc1csc(-c2ccccc2OC)n1
InChIInChI=1S/C20H19NO4S/c1-3-24-18-11-7-5-9-16(18)20(22)25-12-14-13-26-19(21-14)15-8-4-6-10-17(15)23-2/h4-11,13H,3,12H2,1-2H3
InChIKeyYUVIFIOSGCYYOR-UHFFFAOYSA-N
XLogP4.57
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-bromo-4-fluorobenzoate
CID 27751529
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromobenzoate
CID 16539995
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 16523605
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
CID 16522229
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-4-carboxylate
CID 38230614
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 8765688
(2-phenyl-1,3-thiazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666399
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate?
The IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate (CID 16523884) is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCc1csc(-c2ccccc2OC)n1.
What is the InChIKey of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate?
The InChIKey is YUVIFIOSGCYYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-3-24-18-11-7-5-9-16(18)20(22)25-12-14-13-26-19(21-14)15-8-4-6-10-17(15)23-2/h4-11,13H,3,12H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate?
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate has a molecular weight of 369.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate is sourced from PubChem (CID 16523884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).