N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide

C21H21N3O3S — CID 110329572

IUPACN-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc(C)c(CC(=O)Nc3cccc(NC(C)=O)c3)s2)cc1
InChIInChI=1S/C21H21N3O3S/c1-13-19(28-21(22-13)15-7-9-18(27-3)10-8-15)12-20(26)24-17-6-4-5-16(11-17)23-14(2)25/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyILAOQUFLDAZPJC-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.27
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide

N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 110329572) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID110329572
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc(C)c(CC(=O)Nc3cccc(NC(C)=O)c3)s2)cc1
InChIInChI=1S/C21H21N3O3S/c1-13-19(28-21(22-13)15-7-9-18(27-3)10-8-15)12-20(26)24-17-6-4-5-16(11-17)23-14(2)25/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyILAOQUFLDAZPJC-UHFFFAOYSA-N
XLogP4.27
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329578
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 110329363
N-[4-(dimethylamino)phenyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329505
N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329364
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110328896
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329472
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329175
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide (CID 110329572) is N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide is COc1ccc(-c2nc(C)c(CC(=O)Nc3cccc(NC(C)=O)c3)s2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is ILAOQUFLDAZPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-13-19(28-21(22-13)15-7-9-18(27-3)10-8-15)12-20(26)24-17-6-4-5-16(11-17)23-14(2)25/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 110329572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).