N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C22H20ClN3O2S — CID 29044362

IUPACN-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(Cl)c4)csc3n2)cc1
InChIInChI=1S/C22H20ClN3O2S/c1-3-28-18-8-5-15(6-9-18)20-12-26-17(13-29-22(26)25-20)11-21(27)24-16-7-4-14(2)19(23)10-16/h4-10,12-13H,3,11H2,1-2H3,(H,24,27)
InChIKeyVGTOJALTHQODDK-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.60
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 29044362) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID29044362
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(Cl)c4)csc3n2)cc1
InChIInChI=1S/C22H20ClN3O2S/c1-3-28-18-8-5-15(6-9-18)20-12-26-17(13-29-22(26)25-20)11-21(27)24-16-7-4-14(2)19(23)10-16/h4-10,12-13H,3,11H2,1-2H3,(H,24,27)
InChIKeyVGTOJALTHQODDK-UHFFFAOYSA-N
XLogP5.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]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

N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 121038398
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063346
N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509577
N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038356
N-[(2-chlorophenyl)methyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044370
N-(6-chloro-3-pyridinyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 141329544
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 121038392
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
N-(3,4-dimethoxyphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044188
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide
CID 40509257

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 29044362) is N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(Cl)c4)csc3n2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is VGTOJALTHQODDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-3-28-18-8-5-15(6-9-18)20-12-26-17(13-29-22(26)25-20)11-21(27)24-16-7-4-14(2)19(23)10-16/h4-10,12-13H,3,11H2,1-2H3,(H,24,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 425.94 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 29044362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).