2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide

C23H17ClN2OS — CID 16560777

IUPAC2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17ClN2OS/c24-19-8-4-7-18(13-19)23-26-21(15-28-23)14-22(27)25-20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-13,15H,14H2,(H,25,27)
InChIKeyDABNEVKMOQECHK-UHFFFAOYSA-N
MW404.92 g/mol
LogP6.31
Rot. Bonds5

About 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide (PubChem CID 16560777) has the molecular formula C23H17ClN2OS and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
PubChem CID16560777
Molecular FormulaC23H17ClN2OS
Molecular Weight404.92 g/mol
Exact Mass404.08
IUPAC Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17ClN2OS/c24-19-8-4-7-18(13-19)23-26-21(15-28-23)14-22(27)25-20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-13,15H,14H2,(H,25,27)
InChIKeyDABNEVKMOQECHK-UHFFFAOYSA-N
XLogP6.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.92
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16563397
2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 134601715
(2S)-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45492023
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 16560776
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide (CID 16560777) is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide is O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The InChIKey is DABNEVKMOQECHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2OS/c24-19-8-4-7-18(13-19)23-26-21(15-28-23)14-22(27)25-20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-13,15H,14H2,(H,25,27).
What are the key properties of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide has a molecular weight of 404.92 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16560777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).