3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one

C11H7Cl2NO3S — CID 91277236

IUPAC3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESO=C(Cn1c(O)csc1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2NO3S/c12-6-1-2-7(8(13)3-6)9(15)4-14-10(16)5-18-11(14)17/h1-3,5,16H,4H2
InChIKeyJNMLVYXOFPWNGS-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.81
Rot. Bonds3

About 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one

3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 91277236) has the molecular formula C11H7Cl2NO3S and a molecular weight of 304.15 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID91277236
Molecular FormulaC11H7Cl2NO3S
Molecular Weight304.15 g/mol
Exact Mass302.95
IUPAC Name3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESO=C(Cn1c(O)csc1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2NO3S/c12-6-1-2-7(8(13)3-6)9(15)4-14-10(16)5-18-11(14)17/h1-3,5,16H,4H2
InChIKeyJNMLVYXOFPWNGS-UHFFFAOYSA-N
XLogP2.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one (CID 91277236) is 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one is O=C(Cn1c(O)csc1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is JNMLVYXOFPWNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3S/c12-6-1-2-7(8(13)3-6)9(15)4-14-10(16)5-18-11(14)17/h1-3,5,16H,4H2.
What are the key properties of 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one?
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 304.15 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 91277236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).