N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C21H21N3O4S — CID 50749738

IUPACN-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3n(c2C(=O)Nc2ccc(C)cc2C)CCS3(=O)=O)cc1
InChIInChI=1S/C21H21N3O4S/c1-13-4-9-17(14(2)12-13)22-20(25)19-18(15-5-7-16(28-3)8-6-15)23-21-24(19)10-11-29(21,26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyIHGJDTMCEQDXIC-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.22
Rot. Bonds4

About N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749738) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749738
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3n(c2C(=O)Nc2ccc(C)cc2C)CCS3(=O)=O)cc1
InChIInChI=1S/C21H21N3O4S/c1-13-4-9-17(14(2)12-13)22-20(25)19-18(15-5-7-16(28-3)8-6-15)23-21-24(19)10-11-29(21,26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyIHGJDTMCEQDXIC-UHFFFAOYSA-N
XLogP3.22
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][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

Related Compounds

6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749879
N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749624
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 50790892
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890824
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84555059
N-(2,4-dimethylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234506
N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 50814902
N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749738) is N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1ccc(-c2nc3n(c2C(=O)Nc2ccc(C)cc2C)CCS3(=O)=O)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IHGJDTMCEQDXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-13-4-9-17(14(2)12-13)22-20(25)19-18(15-5-7-16(28-3)8-6-15)23-21-24(19)10-11-29(21,26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).