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

C21H22FN3O3S — CID 9250444

IUPAC2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(-c2nc(CN(C)CC(=O)Nc3cccc(F)c3)cs2)cc1OC
InChIInChI=1S/C21H22FN3O3S/c1-25(12-20(26)23-16-6-4-5-15(22)10-16)11-17-13-29-21(24-17)14-7-8-18(27-2)19(9-14)28-3/h4-10,13H,11-12H2,1-3H3,(H,23,26)
InChIKeyOZIXMGXYUJHAOU-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.04
Rot. Bonds8

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

2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 9250444) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID9250444
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(-c2nc(CN(C)CC(=O)Nc3cccc(F)c3)cs2)cc1OC
InChIInChI=1S/C21H22FN3O3S/c1-25(12-20(26)23-16-6-4-5-15(22)10-16)11-17-13-29-21(24-17)14-7-8-18(27-2)19(9-14)28-3/h4-10,13H,11-12H2,1-3H3,(H,23,26)
InChIKeyOZIXMGXYUJHAOU-UHFFFAOYSA-N
XLogP4.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 17499408
N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909934
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55407689
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-nitrophenyl)acetamide
CID 51180014
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
N-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7944782
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198496
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-fluorobenzoate
CID 7758579
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252968
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901848

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (CID 9250444) is 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is COc1ccc(-c2nc(CN(C)CC(=O)Nc3cccc(F)c3)cs2)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is OZIXMGXYUJHAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-25(12-20(26)23-16-6-4-5-15(22)10-16)11-17-13-29-21(24-17)14-7-8-18(27-2)19(9-14)28-3/h4-10,13H,11-12H2,1-3H3,(H,23,26).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9250444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).