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

C22H26N4O2S — CID 8593066

IUPACN-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
SMILESCOc1ccc(Nc2nc(CN(C)CC(=O)Nc3cccc(C)c3C)cs2)cc1
InChIInChI=1S/C22H26N4O2S/c1-15-6-5-7-20(16(15)2)25-21(27)13-26(3)12-18-14-29-22(24-18)23-17-8-10-19(28-4)11-9-17/h5-11,14H,12-13H2,1-4H3,(H,23,24)(H,25,27)
InChIKeyZLNZBCXAISBNOQ-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.58
Rot. Bonds8

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

N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide (PubChem CID 8593066) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
PubChem CID8593066
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
SMILESCOc1ccc(Nc2nc(CN(C)CC(=O)Nc3cccc(C)c3C)cs2)cc1
InChIInChI=1S/C22H26N4O2S/c1-15-6-5-7-20(16(15)2)25-21(27)13-26(3)12-18-14-29-22(24-18)23-17-8-10-19(28-4)11-9-17/h5-11,14H,12-13H2,1-4H3,(H,23,24)(H,25,27)
InChIKeyZLNZBCXAISBNOQ-UHFFFAOYSA-N
XLogP4.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 17418739
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide
CID 18083023
N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide
CID 109035957
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2658282
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
2-[[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8554178
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide (CID 8593066) is N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide is COc1ccc(Nc2nc(CN(C)CC(=O)Nc3cccc(C)c3C)cs2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The InChIKey is ZLNZBCXAISBNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-6-5-7-20(16(15)2)25-21(27)13-26(3)12-18-14-29-22(24-18)23-17-8-10-19(28-4)11-9-17/h5-11,14H,12-13H2,1-4H3,(H,23,24)(H,25,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 8593066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).