N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C23H25N3O2S — CID 46598586

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NC(C)c3cccc(NC(C)=O)c3)s2)cc1
InChIInChI=1S/C23H25N3O2S/c1-5-17-9-11-18(12-10-17)23-25-15(3)21(29-23)22(28)24-14(2)19-7-6-8-20(13-19)26-16(4)27/h6-14H,5H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyUXYHUPYVHVPQQB-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.13
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 46598586) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID46598586
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NC(C)c3cccc(NC(C)=O)c3)s2)cc1
InChIInChI=1S/C23H25N3O2S/c1-5-17-9-11-18(12-10-17)23-25-15(3)21(29-23)22(28)24-14(2)19-7-6-8-20(13-19)26-16(4)27/h6-14H,5H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyUXYHUPYVHVPQQB-UHFFFAOYSA-N
XLogP5.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 27674605
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24506420
2-(4-ethoxyphenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609741
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
(3-acetamidophenyl) 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 75413119
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 51231531

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 46598586) is N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)NC(C)c3cccc(NC(C)=O)c3)s2)cc1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UXYHUPYVHVPQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-5-17-9-11-18(12-10-17)23-25-15(3)21(29-23)22(28)24-14(2)19-7-6-8-20(13-19)26-16(4)27/h6-14H,5H2,1-4H3,(H,24,28)(H,26,27).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46598586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).