2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide

C20H20ClN3O2S — CID 9198496

IUPAC2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)Cc2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C20H20ClN3O2S/c1-24(12-19(25)22-14-6-5-7-16(10-14)26-2)11-15-13-27-20(23-15)17-8-3-4-9-18(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyOZKLLFWNHMBCSQ-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.54
Rot. Bonds7

About 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 9198496) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID9198496
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)Cc2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C20H20ClN3O2S/c1-24(12-19(25)22-14-6-5-7-16(10-14)26-2)11-15-13-27-20(23-15)17-8-3-4-9-18(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyOZKLLFWNHMBCSQ-UHFFFAOYSA-N
XLogP4.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)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-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 30795401
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 38828534
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
2-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 17499408
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250444
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222707
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide (CID 9198496) is 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)Cc2csc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is OZKLLFWNHMBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-24(12-19(25)22-14-6-5-7-16(10-14)26-2)11-15-13-27-20(23-15)17-8-3-4-9-18(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 401.92 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9198496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).