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

C11H8ClNO3S — CID 91091673

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESO=C(Cn1c(O)csc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO3S/c12-8-3-1-7(2-4-8)9(14)5-13-10(15)6-17-11(13)16/h1-4,6,15H,5H2
InChIKeyVOEJDNOYBUASCJ-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.15
Rot. Bonds3

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

3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 91091673) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID91091673
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESO=C(Cn1c(O)csc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO3S/c12-8-3-1-7(2-4-8)9(14)5-13-10(15)6-17-11(13)16/h1-4,6,15H,5H2
InChIKeyVOEJDNOYBUASCJ-UHFFFAOYSA-N
XLogP2.15
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one (CID 91091673) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one is O=C(Cn1c(O)csc1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is VOEJDNOYBUASCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c12-8-3-1-7(2-4-8)9(14)5-13-10(15)6-17-11(13)16/h1-4,6,15H,5H2.
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one?
3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 269.71 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 91091673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).