2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

C17H22N2O4S — CID 78855524

IUPAC2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C17H22N2O4S/c1-5-19(8-9-20)17(21)15-11(2)18-16(24-15)12-6-7-13(22-3)14(10-12)23-4/h6-7,10,20H,5,8-9H2,1-4H3
InChIKeyLBZGYUISOUSQGU-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.59
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 78855524) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID78855524
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C17H22N2O4S/c1-5-19(8-9-20)17(21)15-11(2)18-16(24-15)12-6-7-13(22-3)14(10-12)23-4/h6-7,10,20H,5,8-9H2,1-4H3
InChIKeyLBZGYUISOUSQGU-UHFFFAOYSA-N
XLogP2.59
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide 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)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 78855524) is 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is CCN(CCO)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LBZGYUISOUSQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-5-19(8-9-20)17(21)15-11(2)18-16(24-15)12-6-7-13(22-3)14(10-12)23-4/h6-7,10,20H,5,8-9H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78855524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).