1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone

C11H7BrClNOS — CID 115796114

IUPAC1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H7BrClNOS/c12-9-2-1-7(3-10(9)13)11(15)4-8-5-14-6-16-8/h1-3,5-6H,4H2
InChIKeyAGPPVGVTRGFHGY-UHFFFAOYSA-N
MW316.61 g/mol
LogP3.98
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone

1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 115796114) has the molecular formula C11H7BrClNOS and a molecular weight of 316.61 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID115796114
Molecular FormulaC11H7BrClNOS
Molecular Weight316.61 g/mol
Exact Mass314.91
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H7BrClNOS/c12-9-2-1-7(3-10(9)13)11(15)4-8-5-14-6-16-8/h1-3,5-6H,4H2
InChIKeyAGPPVGVTRGFHGY-UHFFFAOYSA-N
XLogP3.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone 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

1-(4-bromo-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796156
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969808
1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642213
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796085
1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642317
1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107311568
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642327
1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 81291362
1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 115778454

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone (CID 115796114) is 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is AGPPVGVTRGFHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNOS/c12-9-2-1-7(3-10(9)13)11(15)4-8-5-14-6-16-8/h1-3,5-6H,4H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 316.61 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 115796114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).