2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one

C16H11Cl2NO2S — CID 102586846

IUPAC2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one
SMILESCC1=C(c2ccccc2)C(=O)N(c2cc(Cl)ccc2Cl)S1=O
InChIInChI=1S/C16H11Cl2NO2S/c1-10-15(11-5-3-2-4-6-11)16(20)19(22(10)21)14-9-12(17)7-8-13(14)18/h2-9H,1H3
InChIKeyXIZGNGPCQXAZEH-UHFFFAOYSA-N
MW352.24 g/mol
LogP4.43
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one

2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one (PubChem CID 102586846) has the molecular formula C16H11Cl2NO2S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one
PubChem CID102586846
Molecular FormulaC16H11Cl2NO2S
Molecular Weight352.24 g/mol
Exact Mass350.99
IUPAC Name2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one
SMILESCC1=C(c2ccccc2)C(=O)N(c2cc(Cl)ccc2Cl)S1=O
InChIInChI=1S/C16H11Cl2NO2S/c1-10-15(11-5-3-2-4-6-11)16(20)19(22(10)21)14-9-12(17)7-8-13(14)18/h2-9H,1H3
InChIKeyXIZGNGPCQXAZEH-UHFFFAOYSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110574784
2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
CID 18385345
1-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562167
1-(2,5-dichlorophenyl)-3-(2-hydroxyethylsulfanyl)-4-phenylpyrrole-2,5-dione
CID 110562180
1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione
CID 134879398
1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562155
3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 63384515
1-(5-chloro-2-methoxyphenyl)-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110561632
1-(2,4-dichlorophenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303623
1-(2,5-dichlorophenyl)-2-hydroxy-6-oxo-4-phenylpyridine-3-carboxamide
CID 23338684
8-chloro-2-(2-chlorophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71818927
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one (CID 102586846) is 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one is CC1=C(c2ccccc2)C(=O)N(c2cc(Cl)ccc2Cl)S1=O.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one?
The InChIKey is XIZGNGPCQXAZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2S/c1-10-15(11-5-3-2-4-6-11)16(20)19(22(10)21)14-9-12(17)7-8-13(14)18/h2-9H,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one?
2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one has a molecular weight of 352.24 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 102586846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).