2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C19H20N2O5S — CID 5210443

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSC2c2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C19H20N2O5S/c1-23-13-4-5-14(16(10-13)24-2)20-19(22)21-7-8-27-18(21)12-3-6-15-17(9-12)26-11-25-15/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyNURLUBAHGXLFSX-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.71
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 5210443) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID5210443
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSC2c2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C19H20N2O5S/c1-23-13-4-5-14(16(10-13)24-2)20-19(22)21-7-8-27-18(21)12-3-6-15-17(9-12)26-11-25-15/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyNURLUBAHGXLFSX-UHFFFAOYSA-N
XLogP3.71
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide 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-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3548492
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3256733
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
2-(1,3-benzodioxol-5-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 5114817
(2S)-2-(1,3-benzodioxol-5-yl)-N-(4-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025508
2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122328954
(2R)-2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 1025456
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 5236428
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4197593

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 5210443) is 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(NC(=O)N2CCSC2c2ccc3c(c2)OCO3)c(OC)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is NURLUBAHGXLFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-23-13-4-5-14(16(10-13)24-2)20-19(22)21-7-8-27-18(21)12-3-6-15-17(9-12)26-11-25-15/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 5210443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).