3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one

C11H8BrNO2S — CID 63312655

IUPAC3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)c1ccccc1Br
InChIInChI=1S/C11H8BrNO2S/c12-9-4-2-1-3-8(9)10(14)7-13-5-6-16-11(13)15/h1-6H,7H2
InChIKeyMVDORPOTXJODAH-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.56
Rot. Bonds3

About 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one

3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one (PubChem CID 63312655) has the molecular formula C11H8BrNO2S and a molecular weight of 298.16 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one
PubChem CID63312655
Molecular FormulaC11H8BrNO2S
Molecular Weight298.16 g/mol
Exact Mass296.95
IUPAC Name3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)c1ccccc1Br
InChIInChI=1S/C11H8BrNO2S/c12-9-4-2-1-3-8(9)10(14)7-13-5-6-16-11(13)15/h1-6H,7H2
InChIKeyMVDORPOTXJODAH-UHFFFAOYSA-N
XLogP2.56
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one (CID 63312655) is 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one is O=C(Cn1ccsc1=O)c1ccccc1Br.
What is the InChIKey of 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The InChIKey is MVDORPOTXJODAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2S/c12-9-4-2-1-3-8(9)10(14)7-13-5-6-16-11(13)15/h1-6H,7H2.
What are the key properties of 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one?
3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one has a molecular weight of 298.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).