N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide

C19H14Cl2N2O2S — CID 9095733

IUPACN-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)c1
InChIInChI=1S/C19H14Cl2N2O2S/c1-11(24)12-4-2-5-13(8-12)22-17(25)9-14-10-26-19(23-14)18-15(20)6-3-7-16(18)21/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyATHWCACZWRFFKO-UHFFFAOYSA-N
MW405.31 g/mol
LogP5.50
Rot. Bonds5

About N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide

N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 9095733) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID9095733
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC NameN-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)c1
InChIInChI=1S/C19H14Cl2N2O2S/c1-11(24)12-4-2-5-13(8-12)22-17(25)9-14-10-26-19(23-14)18-15(20)6-3-7-16(18)21/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyATHWCACZWRFFKO-UHFFFAOYSA-N
XLogP5.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 38808969
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 31445049
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
(2R)-2-[[2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 96565107
N-(3-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38627971

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide (CID 9095733) is N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide is CC(=O)c1cccc(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ATHWCACZWRFFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c1-11(24)12-4-2-5-13(8-12)22-17(25)9-14-10-26-19(23-14)18-15(20)6-3-7-16(18)21/h2-8,10H,9H2,1H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide?
N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 405.31 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 9095733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).