2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C22H27N3OS2 — CID 9233888

IUPAC2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCc1ccc(-c2csc(CN(C)CC(=O)Nc3c(C)cc(C)cc3C)n2)s1
InChIInChI=1S/C22H27N3OS2/c1-6-17-7-8-19(28-17)18-13-27-21(23-18)12-25(5)11-20(26)24-22-15(3)9-14(2)10-16(22)4/h7-10,13H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyJIIZQLMMLUYGCH-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.43
Rot. Bonds7

About 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9233888) has the molecular formula C22H27N3OS2 and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9233888
Molecular FormulaC22H27N3OS2
Molecular Weight413.61 g/mol
Exact Mass413.16
IUPAC Name2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCc1ccc(-c2csc(CN(C)CC(=O)Nc3c(C)cc(C)cc3C)n2)s1
InChIInChI=1S/C22H27N3OS2/c1-6-17-7-8-19(28-17)18-13-27-21(23-18)12-25(5)11-20(26)24-22-15(3)9-14(2)10-16(22)4/h7-10,13H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyJIIZQLMMLUYGCH-UHFFFAOYSA-N
XLogP5.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9233898
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622156
5-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 112809384
2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174299
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9261630
N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46599183
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46614779
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34136028
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9338173
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 9233888) is 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is CCc1ccc(-c2csc(CN(C)CC(=O)Nc3c(C)cc(C)cc3C)n2)s1.
What is the InChIKey of 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JIIZQLMMLUYGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS2/c1-6-17-7-8-19(28-17)18-13-27-21(23-18)12-25(5)11-20(26)24-22-15(3)9-14(2)10-16(22)4/h7-10,13H,6,11-12H2,1-5H3,(H,24,26).
What are the key properties of 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 413.61 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9233888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).