ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate

C17H20N2O5S — CID 3240209

IUPACethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1s/c(=N/C(=O)c2ccc(OC)c(OC)c2)n(C)c1C
InChIInChI=1S/C17H20N2O5S/c1-6-24-16(21)14-10(2)19(3)17(25-14)18-15(20)11-7-8-12(22-4)13(9-11)23-5/h7-9H,6H2,1-5H3/b18-17+
InChIKeyKSJWSURRFMYMDY-ISLYRVAYSA-N
MW364.42 g/mol
LogP2.33
Rot. Bonds5

About ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate

ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 3240209) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID3240209
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Nameethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1s/c(=N/C(=O)c2ccc(OC)c(OC)c2)n(C)c1C
InChIInChI=1S/C17H20N2O5S/c1-6-24-16(21)14-10(2)19(3)17(25-14)18-15(20)11-7-8-12(22-4)13(9-11)23-5/h7-9H,6H2,1-5H3/b18-17+
InChIKeyKSJWSURRFMYMDY-ISLYRVAYSA-N
XLogP2.33
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-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 ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate (CID 3240209) is ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1s/c(=N/C(=O)c2ccc(OC)c(OC)c2)n(C)c1C.
What is the InChIKey of ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is KSJWSURRFMYMDY-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-6-24-16(21)14-10(2)19(3)17(25-14)18-15(20)11-7-8-12(22-4)13(9-11)23-5/h7-9H,6H2,1-5H3/b18-17+.
What are the key properties of ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dimethoxybenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3240209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).