2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide

C18H27N3O4S — CID 42815159

IUPAC2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1ccc(OC)c(C2SC(C)C(=O)N2CC(=O)NCCN(C)C)c1
InChIInChI=1S/C18H27N3O4S/c1-12-17(23)21(11-16(22)19-8-9-20(2)3)18(26-12)14-10-13(24-4)6-7-15(14)25-5/h6-7,10,12,18H,8-9,11H2,1-5H3,(H,19,22)
InChIKeyRBROQRLXSLTDNG-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.34
Rot. Bonds8

About 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 42815159) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID42815159
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1ccc(OC)c(C2SC(C)C(=O)N2CC(=O)NCCN(C)C)c1
InChIInChI=1S/C18H27N3O4S/c1-12-17(23)21(11-16(22)19-8-9-20(2)3)18(26-12)14-10-13(24-4)6-7-15(14)25-5/h6-7,10,12,18H,8-9,11H2,1-5H3,(H,19,22)
InChIKeyRBROQRLXSLTDNG-UHFFFAOYSA-N
XLogP1.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795938
2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795940
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814458
N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide
CID 42815317
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
(2R,5S)-2-(2,5-dimethoxyphenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]methyl]-5-methyl-1,3-thiazolidin-4-one
CID 93306805
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42812787
N-[2-(dimethylamino)ethyl]-2-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 10730419
N-[2-(dimethylamino)ethyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15998522
(3R)-1-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94039761
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 42815159) is 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide is COc1ccc(OC)c(C2SC(C)C(=O)N2CC(=O)NCCN(C)C)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is RBROQRLXSLTDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-12-17(23)21(11-16(22)19-8-9-20(2)3)18(26-12)14-10-13(24-4)6-7-15(14)25-5/h6-7,10,12,18H,8-9,11H2,1-5H3,(H,19,22).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 42815159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).