N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide

C21H20ClFN2OS — CID 30846845

IUPACN-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C21H20ClFN2OS/c1-3-13-8-9-18(22)17(4-2)20(13)25-19(26)11-16-12-27-21(24-16)14-6-5-7-15(23)10-14/h5-10,12H,3-4,11H2,1-2H3,(H,25,26)
InChIKeyYMRIYDVXWXVLCP-UHFFFAOYSA-N
MW402.92 g/mol
LogP5.91
Rot. Bonds6

About N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide

N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 30846845) has the molecular formula C21H20ClFN2OS and a molecular weight of 402.92 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID30846845
Molecular FormulaC21H20ClFN2OS
Molecular Weight402.92 g/mol
Exact Mass402.10
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C21H20ClFN2OS/c1-3-13-8-9-18(22)17(4-2)20(13)25-19(26)11-16-12-27-21(24-16)14-6-5-7-15(23)10-14/h5-10,12H,3-4,11H2,1-2H3,(H,25,26)
InChIKeyYMRIYDVXWXVLCP-UHFFFAOYSA-N
XLogP5.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.92
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18189684
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16568103
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 18189734
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 86977217
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 36617877

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (CID 30846845) is N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is CCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YMRIYDVXWXVLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2OS/c1-3-13-8-9-18(22)17(4-2)20(13)25-19(26)11-16-12-27-21(24-16)14-6-5-7-15(23)10-14/h5-10,12H,3-4,11H2,1-2H3,(H,25,26).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 402.92 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30846845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).