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

C21H22N2OS — CID 26736483

IUPACN-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCCc1cccc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C21H22N2OS/c1-4-16-6-5-7-18(12-16)23-20(24)13-19-21(22-15(3)25-19)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,23,24)
InChIKeyBQVZPUUUPAAMBM-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.17
Rot. Bonds5

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

N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 26736483) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID26736483
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCCc1cccc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C21H22N2OS/c1-4-16-6-5-7-18(12-16)23-20(24)13-19-21(22-15(3)25-19)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,23,24)
InChIKeyBQVZPUUUPAAMBM-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-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 26574704
N-(3-fluoro-4-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26415642
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41357756
N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 27842838
N-[4-(methylcarbamoylamino)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 46603407
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
N-[(3-chlorophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2107721
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55887472
N-(2-fluoro-5-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26881825
N-(2-ethoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736248
N-(2-ethyl-6-methylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8761777

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 26736483) is N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is CCc1cccc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is BQVZPUUUPAAMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-4-16-6-5-7-18(12-16)23-20(24)13-19-21(22-15(3)25-19)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,23,24).
What are the key properties of N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]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 N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 26736483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).