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

C19H17NO4S — CID 16522229

IUPAC[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2csc(-c3ccccc3OC)n2)c1
InChIInChI=1S/C19H17NO4S/c1-22-15-7-5-6-13(10-15)19(21)24-11-14-12-25-18(20-14)16-8-3-4-9-17(16)23-2/h3-10,12H,11H2,1-2H3
InChIKeyRRGZYNCLMLQSLZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.18
Rot. Bonds6

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

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate (PubChem CID 16522229) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
PubChem CID16522229
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2csc(-c3ccccc3OC)n2)c1
InChIInChI=1S/C19H17NO4S/c1-22-15-7-5-6-13(10-15)19(21)24-11-14-12-25-18(20-14)16-8-3-4-9-17(16)23-2/h3-10,12H,11H2,1-2H3
InChIKeyRRGZYNCLMLQSLZ-UHFFFAOYSA-N
XLogP4.18
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 16523605
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromobenzoate
CID 16539995
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-4-carboxylate
CID 38230614
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
CID 7789627
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate
CID 55323727
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-hydroxy-5-methoxybenzoate
CID 16542545
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitrobenzoate
CID 8708451
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-carbamoylbenzoate
CID 30799981
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-bromo-4-fluorobenzoate
CID 27751529

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate?
The IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate (CID 16522229) is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate is COc1cccc(C(=O)OCc2csc(-c3ccccc3OC)n2)c1.
What is the InChIKey of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate?
The InChIKey is RRGZYNCLMLQSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-22-15-7-5-6-13(10-15)19(21)24-11-14-12-25-18(20-14)16-8-3-4-9-17(16)23-2/h3-10,12H,11H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate?
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate has a molecular weight of 355.42 g/mol, XLogP of 4.18, 6 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 3-methoxybenzoate is sourced from PubChem (CID 16522229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).