N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C21H28N4O3S — CID 78807710

IUPACN-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nc(CN(C)CC(=O)N3CCOCC3)cs2)c1
InChIInChI=1S/C21H28N4O3S/c1-15-4-5-16(2)18(10-15)23-19(26)11-20-22-17(14-29-20)12-24(3)13-21(27)25-6-8-28-9-7-25/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,23,26)
InChIKeyIUMQXCZBKPXFNO-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.23
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78807710) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78807710
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nc(CN(C)CC(=O)N3CCOCC3)cs2)c1
InChIInChI=1S/C21H28N4O3S/c1-15-4-5-16(2)18(10-15)23-19(26)11-20-22-17(14-29-20)12-24(3)13-21(27)25-6-8-28-9-7-25/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,23,26)
InChIKeyIUMQXCZBKPXFNO-UHFFFAOYSA-N
XLogP2.23
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807365
N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711369
2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 78822945
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106
methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate
CID 8711615
1-[[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119908677
N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807716
N-(2,5-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 9321819
N-(2,4-dimethylphenyl)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 50984695
2-[4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78788127
2-[4-[(4-acetamidophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 2567540
2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 8711791

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 78807710) is N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccc(C)c(NC(=O)Cc2nc(CN(C)CC(=O)N3CCOCC3)cs2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IUMQXCZBKPXFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-15-4-5-16(2)18(10-15)23-19(26)11-20-22-17(14-29-20)12-24(3)13-21(27)25-6-8-28-9-7-25/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 416.55 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78807710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).