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

C20H20ClN3O2S — CID 16565451

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN(C)Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-24(11-14-4-3-5-16(21)10-14)12-19(25)23-20-22-18(13-27-20)15-6-8-17(26-2)9-7-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,25)
InChIKeyOEAUTVAFQSVOOI-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.54
Rot. Bonds7

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

2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16565451) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16565451
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN(C)Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-24(11-14-4-3-5-16(21)10-14)12-19(25)23-20-22-18(13-27-20)15-6-8-17(26-2)9-7-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,25)
InChIKeyOEAUTVAFQSVOOI-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

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Related Compounds

N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86578418
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 24560992
2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9251366
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26512391
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 24594736
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 24593910
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387834
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 16565451) is 2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN(C)Cc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OEAUTVAFQSVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-24(11-14-4-3-5-16(21)10-14)12-19(25)23-20-22-18(13-27-20)15-6-8-17(26-2)9-7-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,25).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]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-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16565451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).