[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate

C18H18N2O6S — CID 2997738

IUPAC[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate
SMILESCOc1cc(C(=O)COC(=O)Cc2cnc3sccn23)cc(OC)c1OC
InChIInChI=1S/C18H18N2O6S/c1-23-14-6-11(7-15(24-2)17(14)25-3)13(21)10-26-16(22)8-12-9-19-18-20(12)4-5-27-18/h4-7,9H,8,10H2,1-3H3
InChIKeyJUEYNKAYDHVQET-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.39
Rot. Bonds8

About [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate

[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate (PubChem CID 2997738) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate
PubChem CID2997738
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate
SMILESCOc1cc(C(=O)COC(=O)Cc2cnc3sccn23)cc(OC)c1OC
InChIInChI=1S/C18H18N2O6S/c1-23-14-6-11(7-15(24-2)17(14)25-3)13(21)10-26-16(22)8-12-9-19-18-20(12)4-5-27-18/h4-7,9H,8,10H2,1-3H3
InChIKeyJUEYNKAYDHVQET-UHFFFAOYSA-N
XLogP2.39
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate (CID 2997738) is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate is COc1cc(C(=O)COC(=O)Cc2cnc3sccn23)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate?
The InChIKey is JUEYNKAYDHVQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-23-14-6-11(7-15(24-2)17(14)25-3)13(21)10-26-16(22)8-12-9-19-18-20(12)4-5-27-18/h4-7,9H,8,10H2,1-3H3.
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate?
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate has a molecular weight of 390.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate is sourced from PubChem (CID 2997738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).