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

C18H16N2O4S — CID 30786002

IUPACmethyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2csc(-c3ccccn3)n2)c(OC)c1
InChIInChI=1S/C18H16N2O4S/c1-22-16-9-12(18(21)23-2)6-7-15(16)24-10-13-11-25-17(20-13)14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3
InChIKeyJZDVJPZPIUPDHY-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.58
Rot. Bonds6

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

methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 30786002) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID30786002
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namemethyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2csc(-c3ccccn3)n2)c(OC)c1
InChIInChI=1S/C18H16N2O4S/c1-22-16-9-12(18(21)23-2)6-7-15(16)24-10-13-11-25-17(20-13)14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3
InChIKeyJZDVJPZPIUPDHY-UHFFFAOYSA-N
XLogP3.58
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 30767545
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16567274
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32735530
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108770761
N-(2,5-dimethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17438834
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329818
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate (CID 30786002) is methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate is COC(=O)c1ccc(OCc2csc(-c3ccccn3)n2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is JZDVJPZPIUPDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-22-16-9-12(18(21)23-2)6-7-15(16)24-10-13-11-25-17(20-13)14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3.
What are the key properties of methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate?
methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 356.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 30786002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).