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

C19H14Cl2N2O3S — CID 26117136

IUPAC2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C19H14Cl2N2O3S/c1-11(24)12-2-5-14(6-3-12)26-9-18(25)23-19-22-17(10-27-19)15-7-4-13(20)8-16(15)21/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeyAJGQHIWZCWKCNW-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.34
Rot. Bonds6

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

2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 26117136) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID26117136
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC Name2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C19H14Cl2N2O3S/c1-11(24)12-2-5-14(6-3-12)26-9-18(25)23-19-22-17(10-27-19)15-7-4-13(20)8-16(15)21/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeyAJGQHIWZCWKCNW-UHFFFAOYSA-N
XLogP5.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 165342796
2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178659
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19202905
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30289420
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
2-(4-acetylphenoxy)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 17430597

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 26117136) is 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AJGQHIWZCWKCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c1-11(24)12-2-5-14(6-3-12)26-9-18(25)23-19-22-17(10-27-19)15-7-4-13(20)8-16(15)21/h2-8,10H,9H2,1H3,(H,22,23,25).
What are the key properties of 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 421.31 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 26117136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).