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

C23H27N3O3S — CID 9169453

IUPAC2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(CN(C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)c1OC
InChIInChI=1S/C23H27N3O3S/c1-16-8-10-18(11-9-16)24-21(27)12-22-25-19(15-30-22)14-26(2)13-17-6-5-7-20(28-3)23(17)29-4/h5-11,15H,12-14H2,1-4H3,(H,24,27)
InChIKeyVTNNPXJOYCLZJF-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.28
Rot. Bonds9

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

2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 9169453) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID9169453
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(CN(C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)c1OC
InChIInChI=1S/C23H27N3O3S/c1-16-8-10-18(11-9-16)24-21(27)12-22-25-19(15-30-22)14-26(2)13-17-6-5-7-20(28-3)23(17)29-4/h5-11,15H,12-14H2,1-4H3,(H,24,27)
InChIKeyVTNNPXJOYCLZJF-UHFFFAOYSA-N
XLogP4.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8780612
N-(4-methylphenyl)-2-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78845857
2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78787788
2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9027489
2-[4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78788127
2-[methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 119913071
2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17436287
N-(4-methylphenyl)-2-[4-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 9036017
2-(2,3-dimethoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309182
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 24589039
N-(4-methylphenyl)-2-[4-[(1-naphthalen-1-ylethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 85000604

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 9169453) is 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is COc1cccc(CN(C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)c1OC.
What is the InChIKey of 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is VTNNPXJOYCLZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-8-10-18(11-9-16)24-21(27)12-22-25-19(15-30-22)14-26(2)13-17-6-5-7-20(28-3)23(17)29-4/h5-11,15H,12-14H2,1-4H3,(H,24,27).
What are the key properties of 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9169453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).