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

C20H19NO5S — CID 91487792

IUPACmethyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate
SMILESCOC(=O)c1c(OC)cc(-c2cc(-c3ccc(OC)cc3)ns2)cc1OC
InChIInChI=1S/C20H19NO5S/c1-23-14-7-5-12(6-8-14)15-11-18(27-21-15)13-9-16(24-2)19(20(22)26-4)17(10-13)25-3/h5-11H,1-4H3
InChIKeyCHHHMGGGIDYELN-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.29
Rot. Bonds6

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

methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate (PubChem CID 91487792) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate.

Molecular Properties

Compound Namemethyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate
PubChem CID91487792
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Namemethyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate
SMILESCOC(=O)c1c(OC)cc(-c2cc(-c3ccc(OC)cc3)ns2)cc1OC
InChIInChI=1S/C20H19NO5S/c1-23-14-7-5-12(6-8-14)15-11-18(27-21-15)13-9-16(24-2)19(20(22)26-4)17(10-13)25-3/h5-11H,1-4H3
InChIKeyCHHHMGGGIDYELN-UHFFFAOYSA-N
XLogP4.29
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate?
The IUPAC name of methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate (CID 91487792) is methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate.
What is the SMILES notation for methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate?
The canonical SMILES for methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate is COC(=O)c1c(OC)cc(-c2cc(-c3ccc(OC)cc3)ns2)cc1OC.
What is the InChIKey of methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate?
The InChIKey is CHHHMGGGIDYELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-23-14-7-5-12(6-8-14)15-11-18(27-21-15)13-9-16(24-2)19(20(22)26-4)17(10-13)25-3/h5-11H,1-4H3.
What are the key properties of methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate?
methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate has a molecular weight of 385.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate is sourced from PubChem (CID 91487792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).