2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide

C21H21N3O2S — CID 110342233

IUPAC2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)Nc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-13-5-4-6-19(14(13)2)24-20(26)11-18-12-27-21(23-18)16-7-9-17(10-8-16)22-15(3)25/h4-10,12H,11H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyPAQBBMJQNFTODW-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.57
Rot. Bonds5

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

2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 110342233) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID110342233
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)Nc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-13-5-4-6-19(14(13)2)24-20(26)11-18-12-27-21(23-18)16-7-9-17(10-8-16)22-15(3)25/h4-10,12H,11H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyPAQBBMJQNFTODW-UHFFFAOYSA-N
XLogP4.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 16605105
N-(2,3-dichlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2100218
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16561751
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110342205
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27542821
N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
CID 26810920

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide (CID 110342233) is 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide is CC(=O)Nc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1.
What is the InChIKey of 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is PAQBBMJQNFTODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13-5-4-6-19(14(13)2)24-20(26)11-18-12-27-21(23-18)16-7-9-17(10-8-16)22-15(3)25/h4-10,12H,11H2,1-3H3,(H,22,25)(H,24,26).
What are the key properties of 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 110342233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).