2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

C21H22N2OS — CID 32951608

IUPAC2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2nc(-c3cc(C)ccc3C)cs2)cc1
InChIInChI=1S/C21H22N2OS/c1-4-16-7-9-17(10-8-16)22-20(24)12-21-23-19(13-25-21)18-11-14(2)5-6-15(18)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeySIXRMLLSFHCWLR-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.17
Rot. Bonds5

About 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 32951608) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID32951608
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2nc(-c3cc(C)ccc3C)cs2)cc1
InChIInChI=1S/C21H22N2OS/c1-4-16-7-9-17(10-8-16)22-20(24)12-21-23-19(13-25-21)18-11-14(2)5-6-15(18)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeySIXRMLLSFHCWLR-UHFFFAOYSA-N
XLogP5.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2475630
2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 18287994
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938
N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8962875
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 8750257
2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78787788
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 32951608) is 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cc2nc(-c3cc(C)ccc3C)cs2)cc1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is SIXRMLLSFHCWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-4-16-7-9-17(10-8-16)22-20(24)12-21-23-19(13-25-21)18-11-14(2)5-6-15(18)3/h5-11,13H,4,12H2,1-3H3,(H,22,24).
What are the key properties of 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 350.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 32951608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).