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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 3810884
Acetamide, N-[3-[2-(4-bromophenyl)-2-oxoethyl]-2(3H)-thiazolylidene]-
CID 4058798
(2Z)-2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 2400865
1-(2-Bromophenyl)-2-pyrrolidin-1-ylethanone
CID 3402421
1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone
CID 57119241
Ethanone, 1-(4-bromophenyl)-2-(2-imino-3(2H)-thiazolyl)-
CID 2317913
1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
CID 68859409
1-(4-Bromophenyl)-2-(piperidylcarbonylthio)ethan-1-one
CID 4279008
2(1H)-Pyridinone, 1-[2-(4-bromophenyl)-2-oxoethyl]-
CID 4608828
2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide
CID 121012234
2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide
CID 134859932
3-[2-(2,4-Difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 55205415

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).