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

C11H7BrClNOS — CID 115568074

IUPAC1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccc(Cl)c(Br)c2)s1
InChIInChI=1S/C11H7BrClNOS/c1-6(15)10-5-14-11(16-10)7-2-3-9(13)8(12)4-7/h2-5H,1H3
InChIKeyDUJZGHLFSFPUQS-UHFFFAOYSA-N
MW316.61 g/mol
LogP4.43
Rot. Bonds2

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

1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 115568074) has the molecular formula C11H7BrClNOS and a molecular weight of 316.61 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID115568074
Molecular FormulaC11H7BrClNOS
Molecular Weight316.61 g/mol
Exact Mass314.91
IUPAC Name1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccc(Cl)c(Br)c2)s1
InChIInChI=1S/C11H7BrClNOS/c1-6(15)10-5-14-11(16-10)7-2-3-9(13)8(12)4-7/h2-5H,1H3
InChIKeyDUJZGHLFSFPUQS-UHFFFAOYSA-N
XLogP4.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652441
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]ethanone
CID 55102198
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane
CID 143027008
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088
methyl 2-(4-bromo-3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 80574021
ethyl 5-acetyl-2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 107376113
1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone
CID 115091217
bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone
CID 150749355
1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
CID 130848604
1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
CID 107615063
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
CID 177178914

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone (CID 115568074) is 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2ccc(Cl)c(Br)c2)s1.
What is the InChIKey of 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is DUJZGHLFSFPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNOS/c1-6(15)10-5-14-11(16-10)7-2-3-9(13)8(12)4-7/h2-5H,1H3.
What are the key properties of 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 316.61 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 115568074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).