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

C22H24N2OS — CID 8714383

IUPACN-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c(C)c1
InChIInChI=1S/C22H24N2OS/c1-14(2)17-6-8-18(9-7-17)22-23-19(13-26-22)12-21(25)24-20-10-5-15(3)11-16(20)4/h5-11,13-14H,12H2,1-4H3,(H,24,25)
InChIKeyURNGLCVEUBAHQB-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.73
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 8714383) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID8714383
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c(C)c1
InChIInChI=1S/C22H24N2OS/c1-14(2)17-6-8-18(9-7-17)22-23-19(13-26-22)12-21(25)24-20-10-5-15(3)11-16(20)4/h5-11,13-14H,12H2,1-4H3,(H,24,25)
InChIKeyURNGLCVEUBAHQB-UHFFFAOYSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16561751
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9138977
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761
N-(2-fluoro-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31761357

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide (CID 8714383) is N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is URNGLCVEUBAHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-14(2)17-6-8-18(9-7-17)22-23-19(13-26-22)12-21(25)24-20-10-5-15(3)11-16(20)4/h5-11,13-14H,12H2,1-4H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 364.51 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 8714383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).