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

C19H17NO4S — CID 51173434

IUPACmethyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2csc(-c3ccccc3OC)n2)cc1
InChIInChI=1S/C19H17NO4S/c1-22-17-6-4-3-5-16(17)18-20-14(12-25-18)11-24-15-9-7-13(8-10-15)19(21)23-2/h3-10,12H,11H2,1-2H3
InChIKeyWMWLJJVELQQGOF-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.18
Rot. Bonds6

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

methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate (PubChem CID 51173434) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
PubChem CID51173434
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Namemethyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2csc(-c3ccccc3OC)n2)cc1
InChIInChI=1S/C19H17NO4S/c1-22-17-6-4-3-5-16(17)18-20-14(12-25-18)11-24-15-9-7-13(8-10-15)19(21)23-2/h3-10,12H,11H2,1-2H3
InChIKeyWMWLJJVELQQGOF-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

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

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Related Compounds

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromobenzoate
CID 16539995
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 16523605
2-(2-methoxyphenyl)-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 55356626
dimethyl 5-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16571362
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
CID 16522229
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884
methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-4-carboxylate
CID 38230614

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate (CID 51173434) is methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2csc(-c3ccccc3OC)n2)cc1.
What is the InChIKey of methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate?
The InChIKey is WMWLJJVELQQGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-22-17-6-4-3-5-16(17)18-20-14(12-25-18)11-24-15-9-7-13(8-10-15)19(21)23-2/h3-10,12H,11H2,1-2H3.
What are the key properties of methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate?
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate 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 methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate is sourced from PubChem (CID 51173434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).