N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide

C21H21N3O2S — CID 24673329

IUPACN-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)Nc3cccc(NC(C)=O)c3C)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-4-15-8-10-16(11-9-15)21-24-19(12-27-21)20(26)23-18-7-5-6-17(13(18)2)22-14(3)25/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDBMPDIPPUGIGLX-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.89
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide

N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24673329) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24673329
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)Nc3cccc(NC(C)=O)c3C)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-4-15-8-10-16(11-9-15)21-24-19(12-27-21)20(26)23-18-7-5-6-17(13(18)2)22-14(3)25/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDBMPDIPPUGIGLX-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24538060
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 8947613
2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 62788927
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838094
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-ethylphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17460948

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (CID 24673329) is N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is CCc1ccc(-c2nc(C(=O)Nc3cccc(NC(C)=O)c3C)cs2)cc1.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DBMPDIPPUGIGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-4-15-8-10-16(11-9-15)21-24-19(12-27-21)20(26)23-18-7-5-6-17(13(18)2)22-14(3)25/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24673329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).