[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C16H17NO5S — CID 7954519

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1OC
InChIInChI=1S/C16H17NO5S/c1-9-15(23-10(2)17-9)16(19)22-8-12(18)11-5-6-13(20-3)14(7-11)21-4/h5-7H,8H2,1-4H3
InChIKeyVWIMYKJABQMYMJ-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.82
Rot. Bonds6

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954519) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954519
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1OC
InChIInChI=1S/C16H17NO5S/c1-9-15(23-10(2)17-9)16(19)22-8-12(18)11-5-6-13(20-3)14(7-11)21-4/h5-7H,8H2,1-4H3
InChIKeyVWIMYKJABQMYMJ-UHFFFAOYSA-N
XLogP2.82
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954519) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is COc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is VWIMYKJABQMYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-9-15(23-10(2)17-9)16(19)22-8-12(18)11-5-6-13(20-3)14(7-11)21-4/h5-7H,8H2,1-4H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 335.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).